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Molecule
ID:105272
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₆H₁₂O₆
Molecular Mass
180.15588
Exact Mass
180.0633881
Charge
0
InChI
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H
InChIKey
CDAISMWEOUEBRE-UHFFFAOYSA-N
Canonic Smiles
OC1C(O)C(O)C(C(C1O)O)O
Isomeric Smiles
OC1C(O)C(O)C(O)C(O)C1O
Calculated Properties
JChem
LogD (pH = 7.4)
-3.78
LogD (pH = 5.5)
-3.78
Log P
-3.78
Rotatable Bonds
0
H Donor
6
H Acceptors
6
Lipinski's Rule of Five
false
Acid pKa
12.29
Polar Surface Area
121.38
Polarizability
16.13
Molar Refractivity
35.77
LOG S
0.47
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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Quote
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Academic Data
•
Commercial Catalog
Names and Identifiers
•
IUPAC Traditional name
•
Synonyms
•
IUPAC name
Registration numbers
Properties
•
Product Information
•
Safety Information
Related Proteins
Molecular Spectra
Molecule Details
•
MP Biomedicals
•
ChEBI
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Academic Data
PubChem
892
ChEBI
CHEBI:24848
Commercial Catalog
MP Biomedicals
02159603
Bide Pharmatech
BD234329
Names and Identifiers
IUPAC Traditional name
(-)-inositol
Synonyms
scyllo-INOSITOL
Scyllitol
Cyclohexane-1,2,3,4,5,6-hexaol
inositol
inositols
inositol
1,2,3,4,5,6-cyclohexanehexol
IUPAC name
cyclohexane-1,2,3,4,5,6-hexol
Properties
Product Information
Certificate of Analysis
Download link
Source
Purity
95+%
Source
Safety Information
MSDS Link
Download link
Source
Storage Condition
Room Temperature (15-30°C)
Source
Molecule Details
MP Biomedicals
02159603
(Scyllitol)
ChEBI
CHEBI:24848
Any cyclohexane-1,2,3,4,5,6-hexol.
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Related Proteins
No Data Available
Click here to submit data
Related Proteins
Registration numbers
•
CAS Number
•
PubChem CID
•
PubChem SID
•
MDL Number
•
UniProt Database
•
MetaboLights Database
•
SABIO-RK Database
•
ACToR Database
•
CompTox Database
•
SureChEMBL Database
•
Patent number
•
GeneOntology Database
•
CHEBI ID
Registration numbers
CAS Number
488-59-5
6917-35-7
PubChem CID
892
PubChem SID
162093829
8146839
MDL Number
MFCD00077932
UniProt Database
P53767
P52583
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O80568
Q06685
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P29994
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P38710
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P35969
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P42803
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C1KZ99
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P30606
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P35991
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C1EVJ3
P53115
C1KZA1
Q84W55
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D7C367
A5YBJ6
B5F3F4
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Q9KAH2
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P0CO35
A0R191
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C1AZH2
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Q1BEA6
Q0RLV2
A6W6D9
C1AZ64
Q8FSH1
B1MHQ0
Q4KM52
P30605
Q8QHL3
Q2VLG6
Q9SYJ4
P17105
P54138
B1VS68
C4LHT4
D2B9F4
Q6NI09
D3Q598
D2AU10
C7Q4Y6
Q0UJ42
Q5AUT0
Q9C671
O70173
Q4W9B9
Q556Q3
O14349
P38994
C3LHY1
Q9UNW1
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Q869K3
P17948
P97697
Q8XP74
Q9UGB7
Q9QXN5
O08775
Q6PFW1
O13853
Q9Z0S1
Q59VP0
Q0UQV6
Q9S7U0
Q6HJ19
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A0REB7
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P26935
C3K9I8
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D6ZFG9
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C1AQ46
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P50942
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O13547
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O33832
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P9WKI0
Q5KYR3
Q9FLT2
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Q9R0U1
Q06667
A6THJ2
P46336
Q9WUX5
Q0RS49
C7QKE2
Q57573
P9WKI8
Q9HXI4
P46593
Q00495
Q9R0I8
O31097
Q17QS4
A9WSI9
C0ZZW9
A5E708
Q9C680
Q66I51
Q9QYT7
Q7TY88
Q09WE7
P05375
P74158
Q14573
Q8RX87
Q6BZU7
Q2VLG4
O88751
Q6ZQB6
Q8BYN3
Q1DWP9
Q86VB7
Q9FND9
Q9YGC1
Q80V26
Q91ZS8
P29218
O53907
P29995
P54928
Q557G1
O42912
Q12464
Q9HGM4
Q5A8I6
Q9BUB4
P29066
Q8WWX8
P20786
P0CF99
Q9UBF8
B3EX61
O30916
O14843
Q6BHL8
A4FK61
O34718
D5UFA8
A0R2I7
A1UHV1
D5USX8
A0LU34
D7BSS4
B8H8K8
D5UVX0
P32092
Q9F7Y9
Q8Z153
P26264
P47178
A3KGF7
O43001
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F4J3T8
F4JWB3
A5DHA3
O75747
O59722
Q5AD07
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O75899
Q63713
Q5W915
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P09619
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P17252
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P57054
P42356
Q5M9N4
O74623
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B4UT09
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Q8Z7R1
Q15438
Q2KI41
Q9C5S2
Q9SF12
C0HJE0
Q9PSM4
Q9BW27
P53012
Q59PF9
P97696
Q8AXC7
O88370
P42094
O13010
P23917
O18964
Q03142
O42127
Q8R5A3
P23797
A0QWG5
Q09790
Q38945
Q6C6Q7
A3Q1B7
D7BQJ3
A8E7C5
Q8CIH5
P19174
Q9WVR3
P10911
Q6FKJ1
Q7S8J1
Q6DCQ8
O00443
Q6FLD4
Q4V888
B5VE42
Q9Z2C5
P32179
Q5A1E1
Q05164
Q6XPS3
O08586
G1UBC2
P63034
Q8BWG8
P29780
Q9TU32
P31637
O13368
P81440
Q8C398
Q8TBX8
O48709
Q5A8T7
P34755
Q5PQ01
Q8L796
Q91XU3
P0C997
P25455
P32871
Q99LD4
O08967
C0HJE1
O35119
Q9LMA8
O70362
Q49GP3
O60331
Q59UT4
Q9WTV9
Q90330
Q5BCG1
P53961
Q4IQ08
P25818
Q0DKP3
P42680
O94505
A7MB64
P49796
A4FDY3
B8ZT88
Q0RKY6
Q1B774
P06197
P32383
P48994
P9WKJ1
Q8XCG6
Q8CDA1
P14262
Q5A6M0
P48974
Q873N0
Q9FMJ0
O46685
Q15743
P70526
Q9CZX7
O94084
P65166
Q2QWT4
Q57240
Q9JL55
Q12282
P13369
P09581
P10497
P05696
Q5A2Z7
P25578
Q6CXL4
O15886
O66037
Q5R946
O02811
Q9Y7K2
P80109
B0KWC1
Q92535
Q5PQQ4
Q1AWQ0
Q65217
Q7LHD1
Q9UIA0
P53794
Q00955
Q3ZC98
Q99418
P0CY21
Q8BKC8
Q0P5F7
Q6GN16
Q9RER2
O55207
Q9R010
Q84VY5
P53306
P32363
Q7SCL1
Q15283
Q9Z2E3
Q28DX1
Q9JL56
Q75EW5
Q59KN8
C3MH72
B8ACH9
A5CRN7
Q49784
A0QQZ8
D1BS17
A5TZL4
Q8BTI9
P57624
Q56W08
P10687
Q9Z0F4
B5DEH2
Q90Z00
Q04082
O59802
F4KED2
Q2UDH2
O95989
Q9BTU6
Q5A5U4
Q54IE8
Q92M71
P10863
Q99P84
Q5A1B3
Q59MD0
Q76MY7
P36107
D3ZSI8
B2KI64
Q9M1K2
Q14442
Q6BIS8
A5U3B9
Q9LMN1
Q5T9C9
A0R043
Q9SFB8
P54677
Q9SUI2
Q5SX19
Q9QX11
Q09499
O74561
Q9LPW7
Q9QUQ5
Q9PUF6
O70172
O02810
B0G126
Q9Z1T6
Q9USQ6
B1A8Z2
O15357
P22607
Q754I2
Q2UQH4
D3ZL52
P24604
Q3USB7
Q8IWB1
Q601Q3
B2GIP6
A0QCB7
B1MLH7
D1BHU9
A1TDR0
C8XJN6
C9ZBY0
D2Q1C4
P9WMY6
Q8R3B1
Q59TP1
Q5AAL9
Q9WTV8
O15068
Q9FFA1
Q12494
A6QLT4
P08640
P0ADG6
Q9ES90
Q8CBG9
A6ZXT5
P17870
Q56YP2
Q9CXR4
Q54MC0
Q6U7H8
P70181
Q5CZZ9
Q9UW24
Q9SLG9
Q5UQW2
O77408
O02697
Q6PF93
Q5U2N3
P42336
Q13098
Q9LW29
Q9UBN4
Q05030
P20444
C8ZGM3
Q9M149
Q7Z7B1
Q15735
O08662
Q8R180
B6CVD7
O75460
Q8GY63
Q9LTX2
Q5Z8Y4
A9H5B7
A0PQV5
O29976
Q5AFN8
Q8GUK6
P46726
O43426
Q9D2G5
Q99828
Q96HE7
Q91287
A6ZW78
Q9SFU3
B0XXF8
P42835
A1DJ47
P40015
Q59XQ1
P32623
Q05521
Q8K0E3
Q13258
Q5A343
Q570C0
Q28013
P21804
P60484
Q5AF41
P97834
O43739
Q03940
P09194
Q8R2H5
P34754
O07147
Q6EX42
P34752
Q9C1T1
Q99755
P56160
P16234
P53793
O13332
Q4R562
P49257
P9WMZ4
Q9AH18
P34370
P32019
Q5A849
Q5A5M7
Q6M6E7
Q9ES52
P97573
P28319
Q01968
Q6CAW6
B5Y2S5
C1A2R3
Q9N1F0
A6W933
D6Y4U7
Q8FTD0
C3PK12
O35904
Q99JE6
Q2G1Q2
P45723
P21671
P22146
Q5A8I8
Q8R4A1
P9WMB5
Q6FLH2
Q92213
P50520
Q5A8X9
Q8BFQ3
Q62902
Q86T03
Q8N4L2
P53301
Q9US14
Q9JU03
Q9JZ07
Q9P6J3
Q96K19
Q1RMU7
Q1RMU4
Q3UUQ7
Q66J01
Q10142
Q9D0F3
Q6QNF3
Q80XI4
Q54M40
P78356
O08561
P42347
Q8U1Z6
Q6AZN6
Q3ZC26
Q8TGE1
P04409
Q4QQS8
P39001
Q90352
B3LPD6
O00085
O00092
Q5ZJ58
Q8NNK8
P59644
Q9BRB3
Q5F356
P54674
Q17848
P22182
O49623
P0CP65
Q9NZQ8
Q8NFU5
Q9KAH3
Q88S37
A3PRX7
Q0BG57
Q9SH93
A0LQY9
C4LLD6
Q73WP7
A1SFT8
A1KHW1
Q9FB57
D1A8M1
D2NT85
A4X6W9
Q9HC24
Q9NQ66
P42951
Q92835
P11362
Q42546
D3ZGS3
Q9USJ4
Q566C7
Q9NZJ9
Q8W4R8
P20840
P22543
P36170
Q8N4B1
Q8RWQ8
P58069
Q91X78
O04197
O27726
Q5A312
C7GS61
O14986
P42348
P48426
P48560
A4IID4
Q9UW20
Q8RY89
P39104
Q8NEB9
P22140
Q3SWX7
P42339
Q8K337
Q5AL03
P0C996
Q9Z0J4
O88763
P47179
Q9WTQ0
Q15147
Q9QW07
Q8K2J0
P37288
P22255
Q7X911
Q86YW0
Q944C2
Q8N3E9
P10894
O13692
Q9C5I1
Q59XL0
Q2I6J1
Q28J34
Q03364
Q55F34
Q6BTT3
Q8BH49
Q76MJ5
Q28DS3
Q1RML2
Q9KJX5
Q10153
P95189
Q9K4B1
Q8RW97
Q7YRU3
Q5RET0
Q32NH8
P9WN20
Q6P549
P43497
Q91285
P87172
Q14644
Q5XH03
Q58EG2
Q8JG38
Q498D6
Q9Y7L7
P46961
P60483
Q9HCC8
P22455
Q9NZC3
P37287
Q4KWH5
Q4R6L3
Q9WV18
Q8K3R3
Q8K4D7
Q944C1
Q62077
Q62910
Q2I6J0
O94905
Q90413
P16092
Q8CHC4
Q5R7C5
Q9UTL4
F1MK05
Q91743
Q9HDW9
Q6NVF0
Q6CK18
P39712
P77952
P54676
Q29467
Q5JDA9
O54975
P11598
Q9Z0U4
Q7XZU3
Q5FX52
Q39033
O75038
P40092
A0R2W9
Q03655
Q5AJC0
P44332
Q9C5G5
P24135
P34024
Q00722
Q03029
P9WN21
Q62463
Q91147
Q63406
Q2R3K5
Q7SZN2
A2YGP6
P0CP64
P47026
Q7XVM8
P42837
Q9QYJ2
Q62711
Q9EQY0
Q8NS80
O34105
Q59Y31
Q8FAG5
O68965
Q02111
Q7XZU1
Q01970
Q9ADK0
Q5A029
A5PJN2
Q9I8X3
Q9WU02
B5VSZ6
Q9PUT6
P38894
P59735
P21803
P9WMB4
Q873N2
P33890
Q08907
Q80T41
P55450
Q8T9S7
O35790
O74369
O67379
Q9ZR12
Q5D891
O00329
P9WPG7
P10895
Q5A6U1
Q6NMA7
P30560
P47901
Q6DKC0
P18461
P48043
Q9M0Y6
P27654
Q04433
Q91288
Q756D4
Q2HCW8
P32768
Q9ESM6
Q9JJH7
Q5RCJ9
Q12127
Q9JHG7
Q03674
P08954
P70714
Q94A27
Q07722
Q8K4S1
P10686
Q5A6M2
Q59XB0
Q17QE5
Q6P4S2
P21802
Q91286
Q7Z5R6
P25416
O88871
Q60790
Q62688
P04576
A3QK16
P0C5A3
Q3T0T0
Q9AH17
P0C998
O35954
Q7XZU2
Q96328
P51178
P51432
P10688
Q02158
Q8VZ80
P9WJN0
Q5A1E0
Q2VRL0
G5EBH0
Q9LY51
Q9BRC7
A5D6R3
O15056
Q9UT42
Q64096
Q04589
Q61851
B3LKQ3
Q5BF53
P40552
Q7Z9H9
Q6ICB4
P18460
Q873N1
Q08906
Q12459
O75477
MetaboLights Database
MTBLS580
MTBLS951
MTBLS2436
MTBLS2007
MTBLS71
MTBLS2021
MTBLS191
MTBLS724
MTBLS1411
MTBLS2980
MTBLS1801
MTBLS96
MTBLS328
MTBLS496
MTBLS871
SABIO-RK Database
9216
1421
1888
1424
1426
1425
10531
2349
13511
15733
7242
13100
12404
1430
15425
ACToR Database
643-12-9
53319-35-0
38876-99-2
173524-45-3
551-72-4
6917-35-7
87-89-8
488-55-1
CompTox Database
DTXSID30110000
SureChEMBL Database
SCHEMBL5969
Patent number
US2007190057
EP1738747
US2006100255
WO2005030140
GeneOntology Database
GO:0019310
GO:1902140
GO:1902141
GO:0006020
GO:0006021
CHEBI ID
CHEBI:24848
MTBLS2974
MTBLS3657
MTBLS1980
MTBLS873
MTBLS319
MTBLS1861
MTBLS872
MTBLS2634
3217
1422
1420
1423