[(2S,3R)-3-hydroxy-2-(octanoylamino)octadec-4-enyl] dihydrogen phosphate


Chemical Name: [(2S,3R)-3-hydroxy-2-(octanoylamino)octadec-4-enyl] dihydrogen phosphate
CAS Number: 158983-53-0
Product Number: AG001R2B(AGN-PC-0BS7QE)
Synonyms:
MDL No:
Molecular Formula: C26H52NO6P
Molecular Weight: 505.6679

Identification/Properties


Computed Properties
Molecular Weight:
505.677g/mol
XLogP3:
7.4
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
24
Exact Mass:
505.353g/mol
Monoisotopic Mass:
505.353g/mol
Topological Polar Surface Area:
116A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
551
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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