Molecule

ID:74943

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇O₅P
Molecular Mass
224.191341
Exact Mass
224.08136027
Charge
0
InChI
InChI=1S/C8H17O5P/c1-3-12-14(11,13-4-2)7-5-6-8(9)10/h3-7H2,1-2H3,(H,9,10)
InChIKey
LCHMQUIASGRBNV-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(OCC)CCCC(=O)O
Isomeric Smiles
P(=O)(CCCC(=O)O)(OCC)OCC
Calculated Properties
JChem
Acid pKa
4.6845565
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.27089864
LogD (pH = 7.4)
-2.056346
Log P
0.6056287
Molar Refractivity
51.3026
Polarizability
20.810007
Polar Surface Area
72.83
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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