Molecule

ID:136585

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂O₁₁
Molecular Mass
343.28913484
Exact Mass
343.11956636
Charge
0
InChI
InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11?,12+/m1/s1/i11+1
InChIKey
CZMRCDWAGMRECN-FOZLIJCISA-N
Canonic Smiles
OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[13CH]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Isomeric Smiles
C([C@@H]1[C@H]([C@@H]([C@H]([13CH](O1)O[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO)O)O)O)O
Calculated Properties
JChem
Acid pKa
11.84128
H Acceptors
11
H Donor
8
LogD (pH = 5.5)
-4.5288353
LogD (pH = 7.4)
-4.5288506
Log P
-4.528835
Molar Refractivity
68.7741
Polarizability
28.969793
Polar Surface Area
189.53
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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