Molecule

ID:132000

General Information
Structure
Molecular Formula
C₂₄H₅₂NO₆P
Molecular Mass
481.646541
Exact Mass
481.35322502
Charge
0
InChI
InChI=1S/C24H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-22-24(26)23-31-32(27,28)30-21-19-25(2,3)4/h24,26H,5-23H2,1-4H3
InChIKey
VLBPIWYTPAXCFJ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCOCC(COP(=O)(OCC[N+](C)(C)C)[O-])O
Isomeric Smiles
CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)O
Calculated Properties
JChem
Acid pKa
1.8553442
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.5970418
LogD (pH = 7.4)
3.597138
Log P
1.5735381
Molar Refractivity
142.5191
Polarizability
52.71916
Polar Surface Area
88.05
Rotatable Bonds
24
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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