Molecule

ID:2493

General Information
Structure
MolImage
Molecular Formula
C₃₂H₆₄NO₈P
Molecular Mass
621.826221
Exact Mass
621.43695464
Charge
0
InChI
InChI=1S/C32H64NO8P/c1-6-8-10-12-14-16-18-20-22-24-31(34)38-28-30(29-40-42(36,37)39-27-26-33(3,4)5)41-32(35)25-23-21-19-17-15-13-11-9-7-2/h30H,6-29H2,1-5H3/t30-/m0/s1
InChIKey
IJFVSSZAOYLHEE-PMERELPUSA-N
Canonic Smiles
CCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]
Isomeric Smiles
CCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC
Calculated Properties
JChem
Acid pKa
1.8550572
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
6.580751
LogD (pH = 7.4)
6.5808473
Log P
4.557247
Molar Refractivity
179.0571
Polarizability
67.68005
Polar Surface Area
111.19
Rotatable Bonds
32
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
3.4
LOG S
-6.85
Solubility (Water)
9.31e-05 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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