Molecule

ID:131322

General Information
Structure
MolImage
Molecular Formula
C₂₆H₅₅N₂O₆P
Molecular Mass
522.698461
Exact Mass
522.37977412
Charge
0
InChI
InChI=1S/C26H55N2O6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)27-23-25(32-7-2)24-34-35(30,31)33-22-21-28(3,4)5/h25H,6-24H2,1-5H3,(H-,27,29,30,31)
InChIKey
USUMXADKOISKIL-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)(OCC[N+](C)(C)C)[O-])OCC
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC
Calculated Properties
JChem
Acid pKa
1.8610845
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.4870188
LogD (pH = 7.4)
3.4871163
Log P
2.5656402
Molar Refractivity
153.7233
Polarizability
56.995605
Polar Surface Area
96.92
Rotatable Bonds
25
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
No Data Available
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Molecule Details
References
Bioactivity
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