Molecule

ID:2098

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄O₁₁
Molecular Mass
356.32306
Exact Mass
356.13186159
Charge
0
InChI
InChI=1S/C13H24O11/c1-21-12-10(20)11(7(17)5(3-15)22-12)24-13-9(19)8(18)6(16)4(2-14)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9-,10-,11+,12-,13+/m0/s1
InChIKey
WOKXHOIRHHAHDA-SFEDKXFNSA-N
Canonic Smiles
CO[C@H]1O[C@@H](CO)[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@@H](CO)[C@@H]([C@H]([C@@H]1O)O)O)O
Isomeric Smiles
CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
Calculated Properties
JChem
Acid pKa
11.940494
H Acceptors
11
H Donor
7
LogD (pH = 5.5)
-4.0602484
LogD (pH = 7.4)
-4.060261
Log P
-4.0602484
Molar Refractivity
73.0879
Polarizability
30.830313
Polar Surface Area
178.53
Rotatable Bonds
5
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
-2.65
LOG S
0.2
Solubility (Water)
5.70e+02 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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