Molecule

ID:130012

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃O₅P--
Molecular Mass
196.138181
Exact Mass
196.05006015
Charge
-2
InChI
InChI=1S/C6H13O5P/c1-2-6(3-7,4-8)5-11-12(9)10/h7-8H,2-5H2,1H3/q-2
InChIKey
HRTRCTUERSFDLO-UHFFFAOYSA-N
Canonic Smiles
CCC(COP([O-])[O-])(CO)CO
Isomeric Smiles
[O-]P([O-])OCC(CO)(CO)CC
Calculated Properties
JChem
Acid pKa
14.657074
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.0392
LogD (pH = 7.4)
-1.0392001
Log P
-1.0392
Molar Refractivity
43.0614
Polarizability
17.312256
Polar Surface Area
95.81
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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