Molecule

ID:2010

General Information
Structure
MolImage
Molecular Formula
C₂₆H₅₄NO₇P
Molecular Mass
523.683221
Exact Mass
523.3637897
Charge
0
InChI
InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1
InChIKey
HVAUUPRFYPCOCA-AREMUKBSSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-]
Isomeric Smiles
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
4.04
LogD (pH = 5.5)
4.04
Log P
2.01
Rotatable Bonds
26
H Donor
0
H Acceptors
4
Lipinski's Rule of Five
false
Acid pKa
1.86
Polar Surface Area
94.12
Polarizability
61.89
Molar Refractivity
151.67
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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