Molecule

ID:133911

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄O₁₂
Molecular Mass
360.31176
Exact Mass
360.12677621
Charge
0
InChI
InChI=1S/C12H22O11.H2O/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12;/h1,4-12,14-21H,2-3H2;1H2/t4-,5+,6+,7+,8+,9-,10-,11+,12-;/m0./s1
InChIKey
CHIDEFLSUMQFBY-CQIZOMOZSA-N
Canonic Smiles
O=C[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O)O)O)O.O
Isomeric Smiles
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O)O.O
Calculated Properties
JChem
Acid pKa
11.6587925
H Acceptors
11
H Donor
8
LogD (pH = 5.5)
-5.3391967
LogD (pH = 7.4)
-5.33922
Log P
-5.339196
Molar Refractivity
69.7589
Polarizability
29.065626
Polar Surface Area
197.37
Rotatable Bonds
8
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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