Molecule

ID:105088

General Information
Structure
MolImage
Molecular Formula
C₂₃H₄₉N₂O₅P
Molecular Mass
464.619321
Exact Mass
464.33790931
Charge
0
InChI
InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3
InChIKey
JLVSPVFPBBFMBE-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCC/C=C/C(C(COP(=O)(OCC[N+](C)(C)C)[O-])N)O
Isomeric Smiles
CCCCCCCCCCCCC/C=C/C(O)C(N)COP(=O)([O-])OCC[N+](C)(C)C
Calculated Properties
JChem
Acid pKa
1.8297435
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.30242163
LogD (pH = 7.4)
0.48946673
Log P
-0.2439917
Molar Refractivity
140.0582
Polarizability
51.45731
Polar Surface Area
104.84
Rotatable Bonds
21
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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