ChemSpider 2D Image | N-tetracosanoylsphinganine-1-phosphocholine | C47H97N2O6P

N-tetracosanoylsphinganine-1-phosphocholine

  • Molecular FormulaC47H97N2O6P
  • Average mass817.257 Da
  • Monoisotopic mass816.708435 Da
  • ChemSpider ID24846882
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S,3R)-3-Hydroxy-2-(tetracosanoylamino)octadecyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2S,3R)-3-Hydroxy-2-(tetracosanoylamino)octadecyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[[(2S,3R)-3-hydroxy-2-[(1-oxotetracosyl)amino]octadecyl]oxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
N-tetracosanoylsphinganine-1-phosphocholine
Phosphate de (2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadécyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2S,3R)-3-hydroxy-2-tetracosanamidooctadecyl phosphonato]oxy}ethyl)trimethylazanium
C24DH sphingomyelin
http://www.hmdb.ca/metabolites/HMDB0012094
N-(tetracosanoyl)-sphinganine-1-phosphocholine
SM(d18:0/24:0)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 45
#Rule of 5 Violations: 2
ACD/LogP: 13.91
ACD/LogD (pH 5.5): 12.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.60
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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