Molecule

ID:1483

General Information
Structure
MolImage
Molecular Formula
C₃H₇O₇P
Molecular Mass
186.057241
Exact Mass
185.99293919
Charge
0
InChI
InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
InChIKey
GXIURPTVHJPJLF-UWTATZPHSA-N
Canonic Smiles
OC[C@H](C(=O)O)OP(=O)(O)O
Isomeric Smiles
OC[C@@H](OP(=O)(O)O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-8.72
LogD (pH = 5.5)
-6.02
Log P
-1.64
Rotatable Bonds
4
H Donor
4
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
0.81
Polar Surface Area
124.29
Polarizability
13.41
Molar Refractivity
31.26
LOG S
1.42
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation