ChemSpider 2D Image | N-oleoylsphingosine-1-phosphocholine | C41H81N2O6P

N-oleoylsphingosine-1-phosphocholine

  • Molecular FormulaC41H81N2O6P
  • Average mass729.065 Da
  • Monoisotopic mass728.583252 Da
  • ChemSpider ID4947837

  • 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-[(9Z)-9-octadecenoylamino]-4-octadecen-1-yl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2S,3R,4E)-3-Hydroxy-2-[(9Z)-9-octadecenoylamino]-4-octadecen-1-yl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[[(2S,3R,4E)-3-hydroxy-2-[[(9Z)-1-oxo-9-octadecen-1-yl]amino]-4-octadecen-1-yl]oxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
N-oleoylsphingosine-1-phosphocholine
Phosphate de (2S,3R,4E)-3-hydroxy-2-[(9Z)-9-octadecenoylamino]-4-octadécén-1-yle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2S,3R,4E)-3-hydroxy-2-[(9Z)-octadec-9-enamido]octadec-4-en-1-yl phosphonato]oxy}ethyl)trimethylazanium
108392-10-5 [RN]
18:1 SM (d18:1/18:1(9Z))
2-[[(E,2S,3R)-3-hydroxy-2-[[(Z)-octadec-9-enoyl]amino]octadec-4-enoxy]-oxido-phosphoryl]oxyethyl-trimethyl-azanium
C18:1 sphingomyelin
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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, 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: 37
#Rule of 5 Violations: 2
ACD/LogP: 10.07
ACD/LogD (pH 5.5): 8.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2552301.00
ACD/LogD (pH 7.4): 8.74
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2552387.75
Polar Surface Area: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

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