ChemSpider 2D Image | SM(d18:0/16:1(9Z)) | C39H79N2O6P

SM(d18:0/16:1(9Z))

  • Molecular FormulaC39H79N2O6P
  • Average mass703.028 Da
  • Monoisotopic mass702.567566 Da
  • ChemSpider ID35032645

  • 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)-2-[(9Z)-9-Hexadecenoylamino]-3-hydroxyoctadecyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2S,3R)-2-[(9Z)-9-Hexadecenoylamino]-3-hydroxyoctadecyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[[(2S,3R)-3-hydroxy-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]amino]octadecyl]oxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2S,3R)-2-[(9Z)-9-hexadecenoylamino]-3-hydroxyoctadécyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
SM(d18:0/16:1(9Z))
(2-{[(2S,3R)-2-[(9Z)-hexadec-9-enamido]-3-hydroxyoctadecyl phosphonato]oxy}ethyl)trimethylazanium
C16:1 Sphingomyelin
N-(15Z-tetracosenoyl)-sphing-4-enine-1-phosphocholine

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: 36
#Rule of 5 Violations: 2
ACD/LogP: 9.14
ACD/LogD (pH 5.5): 7.43
ACD/BCF (pH 5.5): 363626.16
ACD/KOC (pH 5.5): 492506.44
ACD/LogD (pH 7.4): 7.43
ACD/BCF (pH 7.4): 363638.94
ACD/KOC (pH 7.4): 492523.72
Polar Surface Area: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

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