ChemSpider 2D Image | N-(9Z-hexadecenoyl)sphingosine-1-phosphocholine | C39H77N2O6P

N-(9Z-hexadecenoyl)sphingosine-1-phosphocholine

  • Molecular FormulaC39H77N2O6P
  • Average mass701.012 Da
  • Monoisotopic mass700.551941 Da
  • ChemSpider ID34448430

  • 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)-2-[(9Z)-9-Hexadecenoylamino]-3-hydroxy-4-octadecen-1-yl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2S,3R,4E)-2-[(9Z)-9-Hexadecenoylamino]-3-hydroxy-4-octadecen-1-yl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[[(2S,3R,4E)-3-hydroxy-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]amino]-4-octadecen-1-yl]oxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
N-(9Z-hexadecenoyl)sphingosine-1-phosphocholine
Phosphate de (2S,3R,4E)-2-[(9Z)-9-hexadecenoylamino]-3-hydroxy-4-octadécén-1-yle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2S,3R,4E)-2-[(9Z)-hexadec-9-enoylamino]-3-hydroxyoctadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate
16:1 SM (d18:1/16:1(9Z))
222403-66-9 [RN]
N-(9Z-hexadecenoyl)-sphing-4-enine-1-phosphocholine
SM(34:2)
More...

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: 35
#Rule of 5 Violations: 2
ACD/LogP: 9.01
ACD/LogD (pH 5.5): 7.06
ACD/BCF (pH 5.5): 189379.63
ACD/KOC (pH 5.5): 308754.34
ACD/LogD (pH 7.4): 7.06
ACD/BCF (pH 7.4): 189386.08
ACD/KOC (pH 7.4): 308764.84
Polar Surface Area: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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