ChemSpider 2D Image | N-myristoylsphingosine-1-phosphocholine | C37H75N2O6P


  • Molecular FormulaC37H75N2O6P
  • Average mass674.975 Da
  • Monoisotopic mass674.536255 Da
  • ChemSpider ID9608732
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R,4E)-3-Hydroxy-2-(tetradecanoylamino)-4-octadecen-1-yl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2S,3R,4E)-3-Hydroxy-2-(tetradecanoylamino)-4-octadecen-1-yl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[[(2S,3R,4E)-3-hydroxy-2-[(1-oxotetradecyl)amino]-4-octadecen-1-yl]oxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2S,3R,4E)-3-hydroxy-2-(tetradecanoylamino)-4-octadécén-1-yle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2S,3R)-3-hydroxy-2-tetradecanamidooctadec-4-en-1-yl phosphonato]oxy}ethyl)trimethylazanium
(2-{[(2S,3R,4E)-3-hydroxy-2-tetradecanamidooctadec-4-en-1-yl phosphonato]oxy}ethyl)trimethylazanium
(2S,3R,4E)-3-hydroxy-2-(tetradecanoylamino)octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
14:0 SM (d18:1/14:0)
C14 Sphingomyelin

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

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

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: 34
#Rule of 5 Violations: 2
ACD/LogP: 8.47
ACD/LogD (pH 5.5): 7.50
ACD/BCF (pH 5.5): 411076.00
ACD/KOC (pH 5.5): 537699.13
ACD/LogD (pH 7.4): 7.50
ACD/BCF (pH 7.4): 411090.00
ACD/KOC (pH 7.4): 537717.44
Polar Surface Area: 118 Å2
Surface Tension:
Molar Volume:

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