Molecule

ID:132594

General Information
Structure
MolImage
Molecular Formula
C₂₅H₅₃N₂O₆P
Molecular Mass
508.671881
Exact Mass
508.36412406
Charge
0
InChI
InChI=1S/C25H53N2O6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)26-22-24(31-5)23-33-34(29,30)32-21-20-27(2,3)4/h24H,6-23H2,1-5H3,(H-,26,28,29,30)
InChIKey
GLZQVYDFXUECNY-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)(OCC[N+](C)(C)C)[O-])OC
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OC
Calculated Properties
JChem
Acid pKa
1.8610868
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.1302109
LogD (pH = 7.4)
3.1303084
Log P
2.2088294
Molar Refractivity
148.9747
Polarizability
55.159016
Polar Surface Area
96.92
Rotatable Bonds
24
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
Molecule Details
References
Bioactivity
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