Molecule
ID:74970
General Information
Molecular Formula
C₅H₁₁O₅P
Molecular Mass
182.111601
Exact Mass
182.03441008
Charge
0
InChI
InChI=1S/C5H11O5P/c1-9-11(8,10-2)4-3-5(6)7/h3-4H2,1-2H3,(H,6,7)
InChIKey
UCJRQUJJIIBKCI-UHFFFAOYSA-N
Canonic Smiles
COP(=O)(CCC(=O)O)OC
Isomeric Smiles
P(=O)(OC)(OC)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.4389706
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4641742
LogD (pH = 7.4)
-3.2382658
Log P
-0.368239
Molar Refractivity
37.0504
Polarizability
15.392016
Polar Surface Area
72.83
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
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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