Molecule

ID:102406

General Information
Structure
MolImage
Molecular Formula
C₃₂H₆₇O₄P
Molecular Mass
546.845741
Exact Mass
546.47769725
Charge
0
InChI
InChI=1S/C32H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H,33,34)
InChIKey
RNPXCFINMKSQPQ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCCCC)O
Isomeric Smiles
CCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
10.68
LogD (pH = 5.5)
10.70
Log P
13.05
Rotatable Bonds
32
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
1.94
Polar Surface Area
55.76
Polarizability
73.19
Molar Refractivity
161.79
LOG S
-13.45
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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