Molecule

ID:2228

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁O₇P
Molecular Mass
214.110401
Exact Mass
214.02423932
Charge
0
InChI
InChI=1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/t4-,5-/m1/s1
InChIKey
AJPADPZSRRUGHI-RFZPGFLSSA-N
Canonic Smiles
O[C@@H]([C@@H](C(=O)C)O)COP(=O)(O)O
Isomeric Smiles
CC(=O)[C@@H](O)[C@H](O)COP(=O)(O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.25
LogD (pH = 5.5)
-4.35
Log P
-1.94
Rotatable Bonds
5
H Donor
4
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
1.48
Polar Surface Area
124.29
Polarizability
17.14
Molar Refractivity
40.77
LOG S
1.12
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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