Molecule

ID:4117

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₆
Molecular Mass
178.14
Exact Mass
178.04773804
Charge
0
InChI
InChI=1S/C6H10O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h2-4,6-8,11H,1H2,(H,9,10)/t2-,3-,4+,6+/m0/s1
InChIKey
OGDYCNQXUUBOMI-RFPGKLGKSA-N
Canonic Smiles
O[C@H]1C[C@H](O[C@H]([C@@H]1O)O)C(=O)O
Isomeric Smiles
O[C@H]1C[C@H](O[C@@H](O)[C@@H]1O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.3730443
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-4.035298
LogD (pH = 7.4)
-5.3315926
Log P
-1.92197
Molar Refractivity
34.6937
Polarizability
14.475793
Polar Surface Area
107.22
Rotatable Bonds
1
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-2.19
LOG S
0.42
Solubility (Water)
4.72e+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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