Molecule

ID:4082

General Information
Structure
MolImage
Molecular Formula
C₃H₇O₇P
Molecular Mass
186.057241
Exact Mass
185.99293919
Charge
0
InChI
InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
InChIKey
OSJPPGNTCRNQQC-REOHCLBHSA-N
Canonic Smiles
OC(=O)[C@H](COP(=O)(O)O)O
Isomeric Smiles
O[C@@H](COP(=O)(O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
1.3022122
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-6.057131
LogD (pH = 7.4)
-8.3535385
Log P
-1.6423055
Molar Refractivity
31.2564
Polarizability
12.95952
Polar Surface Area
124.29
Rotatable Bonds
4
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-2.26
LOG S
-0.95
Solubility (Water)
2.10e+01 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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