Molecule

ID:136561

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄O₁₂
Molecular Mass
361.30441484
Exact Mass
361.13013105
Charge
0
InChI
InChI=1S/C12H22O11.H2O/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17;/h3-20H,1-2H2;1H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12-;/m1./s1/i11+1;
InChIKey
WSVLPVUVIUVCRA-MGGAACLDSA-N
Canonic Smiles
OC[C@H]1O[13CH](O)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O.O
Isomeric Smiles
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]1[C@H](O[13CH]([C@@H]([C@H]1O)O)O)CO)O)O)O)O.O
Calculated Properties
JChem
Acid pKa
11.2543745
H Acceptors
11
H Donor
8
LogD (pH = 5.5)
-4.703376
LogD (pH = 7.4)
-4.7034354
Log P
-4.703375
Molar Refractivity
68.3367
Polarizability
28.969793
Polar Surface Area
189.53
Rotatable Bonds
4
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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