Molecule

ID:105238

General Information
Structure
MolImage
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/t24-/m1/s1
InChIKey
VLBPIWYTPAXCFJ-XMMPIXPASA-N
Canonic Smiles
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(OCC[N+](C)(C)C)[O-])O
Isomeric Smiles
CCCCCCCCCCCCCCCCOC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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