Molecule

ID:3661

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁O₈P
Molecular Mass
230.109801
Exact Mass
230.01915394
Charge
0
InChI
InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m1/s1
InChIKey
FNZLKVNUWIIPSJ-RFZPGFLSSA-N
Canonic Smiles
OCC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O
Isomeric Smiles
OCC(=O)[C@@H](O)[C@H](O)COP(=O)(O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-6.07
LogD (pH = 5.5)
-5.17
Log P
-2.76
Rotatable Bonds
6
H Donor
5
H Acceptors
7
Lipinski's Rule of Five
true
Acid pKa
1.48
Polar Surface Area
144.52
Polarizability
18.04
Molar Refractivity
42.47
LOG S
1.29
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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