Molecule

ID:1481

General Information
Structure
MolImage
Molecular Formula
C₂₀H₄₂NO₇P
Molecular Mass
439.523741
Exact Mass
439.26988932
Charge
0
InChI
InChI=1S/C20H42NO7P/c1-5-6-7-8-9-10-11-12-13-14-20(23)26-17-19(22)18-28-29(24,25)27-16-15-21(2,3)4/h19,22H,5-18H2,1-4H3/t19-/m0/s1
InChIKey
BWKILASWCLJPBO-IBGZPJMESA-N
Canonic Smiles
CCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])O
Isomeric Smiles
CCCCCCCCCCCC(=O)OC[C@H](O)COP(=O)([O-])OCC[N+](C)(C)C
Calculated Properties
JChem
Acid pKa
1.8553406
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.4379716
LogD (pH = 7.4)
1.4380676
Log P
-0.5855322
Molar Refractivity
123.8697
Polarizability
45.490593
Polar Surface Area
105.12
Rotatable Bonds
20
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
0.1
LOG S
-5.55
Solubility (Water)
1.34e-03 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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