ChemSpider 2D Image | N-tetracosanoyl-14-methylhexadecasphinganine-1-phosphocholine | C46H95N2O6P

N-tetracosanoyl-14-methylhexadecasphinganine-1-phosphocholine

  • Molecular FormulaC46H95N2O6P
  • Average mass803.230 Da
  • Monoisotopic mass802.692749 Da
  • ChemSpider ID58169103

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,3R)-3-Hydroxy-14-methyl-2-(tetracosanoylamino)hexadecyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2S,3R)-3-Hydroxy-14-methyl-2-(tetracosanoylamino)hexadecyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[[(2S,3R)-3-hydroxy-14-methyl-2-[(1-oxotetracosyl)amino]hexadecyl]oxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
N-tetracosanoyl-14-methylhexadecasphinganine-1-phosphocholine
Phosphate de (2S,3R)-3-hydroxy-14-méthyl-2-(tetracosanoylamino)hexadécyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2S,3R)-3-hydroxy-14-methyl-2-(tetracosanoylamino)hexadecyl 2-(trimethylazaniumyl)ethyl phosphate
N-tetracosanoyl-14-methylhexadecadihydrosphingosine-1-phosphocholine
SM 41:0

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3/24:0 [DBID]
  • Miscellaneous

    • Chemical Class:

      A sphingomyelin obtained by formal condensation of the carboxy group of tetracosanoic acid with the amino group of 14-methylhexadecasphinganine-1-phosphocholine. It is a metabolite of the nematode <it al>Caenorhabditis elegans</ital>. ChEBI CHEBI:125205
      A sphingomyelin obtained by formal condensation of the carboxy group of tetracosanoic acid with the amino group of 14-methylhexadecasphinganine-1-phosphocholine. It is a metabolite of the nematode Cae norhabditis elegans. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:125205, CHEBI:125205

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 13.19
ACD/LogD (pH 5.5): 11.22
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.22
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

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