Molecule

ID:133621

General Information
Structure
MolImage
Molecular Formula
C₃H₆O₇
Molecular Mass
154.07554
Exact Mass
154.01135253
Charge
0
InChI
InChI=1S/C3H4O6.H2O/c4-1(5)3(8,9)2(6)7;/h8-9H,(H,4,5)(H,6,7);1H2
InChIKey
UGDMCSPXNXDUOR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(=O)O)(O)O.O
Isomeric Smiles
C(=O)(C(C(=O)O)(O)O)O.O
Calculated Properties
JChem
Acid pKa
1.7318885
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-6.1034226
LogD (pH = 7.4)
-7.8668385
Log P
-1.0837705
Molar Refractivity
21.8684
Polarizability
9.126802
Polar Surface Area
115.06
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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