Molecule

ID:2160

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄O₁₀S
Molecular Mass
372.38866
Exact Mass
372.10901797
Charge
0
InChI
InChI=1S/C13H24O10S/c1-21-12-11(9(19)7(17)4(2-14)22-12)24-13-10(20)8(18)6(16)5(3-15)23-13/h4-20H,2-3H2,1H3/t4-,5+,6+,7-,8-,9+,10+,11-,12-,13-/m0/s1
InChIKey
WAYOKHSZGNFKSX-JGVJERAOSA-N
Canonic Smiles
CO[C@H]1O[C@@H](CO)[C@@H]([C@H]([C@@H]1S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O
Isomeric Smiles
CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Calculated Properties
JChem
Acid pKa
12.341584
H Acceptors
10
H Donor
7
LogD (pH = 5.5)
-3.643946
LogD (pH = 7.4)
-3.6439507
Log P
-3.643946
Molar Refractivity
79.2319
Polarizability
33.11689
Polar Surface Area
169.3
Rotatable Bonds
5
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
-2.62
LOG S
0.0
Solubility (Water)
3.69e+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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