Molecule

ID:74908

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁O₅P
Molecular Mass
252.244501
Exact Mass
252.1126604
Charge
0
InChI
InChI=1S/C10H21O5P/c1-6-13-16(12,14-7-2)8-9(11)15-10(3,4)5/h6-8H2,1-5H3
InChIKey
NFEGNISFSSLEGU-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(CC(=O)OC(C)(C)C)OCC
Isomeric Smiles
P(=O)(OCC)(OCC)CC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
17.379942
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1920279
LogD (pH = 7.4)
1.1920279
Log P
1.1920279
Molar Refractivity
60.6705
Polarizability
24.684145
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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