Molecule

ID:132722

General Information
Structure
MolImage
Molecular Formula
C₂₅H₅₄NO₆P
Molecular Mass
495.673121
Exact Mass
495.36887508
Charge
0
InChI
InChI=1S/C25H54NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-30-23-25(29-5)24-32-33(27,28)31-22-20-26(2,3)4/h25H,6-24H2,1-5H3
InChIKey
RZNRKXGAJMGLIM-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCOCC(COP(=O)(OCC[N+](C)(C)C)[O-])OC
Isomeric Smiles
CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC
Calculated Properties
JChem
Acid pKa
1.8552582
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.240168
LogD (pH = 7.4)
4.2402644
Log P
2.2166646
Molar Refractivity
147.2703
Polarizability
54.627937
Polar Surface Area
77.05
Rotatable Bonds
25
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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