Molecule

ID:91243

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉O₅P
Molecular Mass
238.217921
Exact Mass
238.09701034
Charge
0
InChI
InChI=1S/C9H19O5P/c1-5-12-9(10)8(4)15(11,13-6-2)14-7-3/h8H,5-7H2,1-4H3
InChIKey
BVSRWCMAJISCTD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(P(=O)(OCC)OCC)C
Isomeric Smiles
P(=O)(OCC)(OCC)C(C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
18.457832
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1510886
LogD (pH = 7.4)
1.1510886
Log P
1.1510886
Molar Refractivity
56.1074
Polarizability
22.862322
Polar Surface Area
61.83
Rotatable Bonds
8
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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