Molecule

ID:1468

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₆
Molecular Mass
150.08684
Exact Mass
150.01643791
Charge
0
InChI
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2+
InChIKey
FEWJPZIEWOKRBE-XIXRPRMCSA-N
Canonic Smiles
O[C@H]([C@@H](C(=O)O)O)C(=O)O
Isomeric Smiles
O[C@@H]([C@@H](O)C(=O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
2.719041
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-5.323427
LogD (pH = 7.4)
-7.890869
Log P
-1.8287998
Molar Refractivity
26.2134
Polarizability
10.871467
Polar Surface Area
115.06
Rotatable Bonds
3
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-1.27
LOG S
0.03
Solubility (Water)
1.61e+02 g/l
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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