Molecule

ID:134902

General Information
Structure
MolImage
Molecular Formula
C₃₆H₇₂NO₈P
Molecular Mass
677.932541
Exact Mass
677.4995549
Charge
0
InChI
InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3
InChIKey
CITHEXJVPOWHKC-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]
Isomeric Smiles
CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
Calculated Properties
JChem
Acid pKa
1.8550572
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
8.359026
LogD (pH = 7.4)
8.359121
Log P
6.3355217
Molar Refractivity
197.4611
Polarizability
75.031044
Polar Surface Area
111.19
Rotatable Bonds
36
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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