Molecule

ID:74974

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃O₅P
Molecular Mass
196.138181
Exact Mass
196.05006015
Charge
0
InChI
InChI=1S/C6H13O5P/c1-4-11-6(7)5-12(8,9-2)10-3/h4-5H2,1-3H3
InChIKey
HUNISAHOCCASGM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CP(=O)(OC)OC
Isomeric Smiles
P(=O)(OC)(OC)CC(=O)OCC
Calculated Properties
JChem
Acid pKa
18.266905
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.07297536
LogD (pH = 7.4)
-0.07297536
Log P
-0.07297536
Molar Refractivity
42.1163
Polarizability
17.420135
Polar Surface Area
61.83
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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