Molecule

ID:136518

General Information
Structure
MolImage
Molecular Formula
C₄₂H₈₄NO₈P
Molecular Mass
762.092021
Exact Mass
761.59345528
Charge
0
InChI
InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3
InChIKey
PZNPLUBHRSSFHT-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCC(=O)OC(COP(=O)(OCC[N+](C)(C)C)[O-])COC(=O)CCCCCCCCCCCCCCC
Isomeric Smiles
C[N+](CCOP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)(C)C
Calculated Properties
JChem
Acid pKa
1.8550572
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
11.026438
LogD (pH = 7.4)
11.026534
Log P
9.0029335
Molar Refractivity
225.0671
Polarizability
86.06809
Polar Surface Area
111.19
Rotatable Bonds
42
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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