Molecule
ID:110254
General Information
Molecular Formula
C₆H₁₃O₄P
Molecular Mass
180.138781
Exact Mass
180.05514553
Charge
0
InChI
InChI=1S/C6H13O4P/c1-4-9-11(8,6(3)7)10-5-2/h4-5H2,1-3H3
InChIKey
YOHJPFQGGNEGSE-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(C(=O)C)OCC
Isomeric Smiles
CCOP(=O)(OCC)C(=O)C
Calculated Properties
JChem
Acid pKa
18.723524
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.4402452
LogD (pH = 7.4)
0.4402452
Log P
0.4402452
Molar Refractivity
40.6804
Polarizability
16.653336
Polar Surface Area
52.6
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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