ChemSpider 2D Image | N-heptadecanoyl-15-methylhexadecasphingosine-1-phosphocholine | C39H79N2O6P

N-heptadecanoyl-15-methylhexadecasphingosine-1-phosphocholine

  • Molecular FormulaC39H79N2O6P
  • Average mass703.028 Da
  • Monoisotopic mass702.567566 Da
  • ChemSpider ID28533343

  • 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-(Heptadecanoylamino)-3-hydroxy-15-methyl-4-hexadecen-1-yl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2S,3R,4E)-2-(Heptadecanoylamino)-3-hydroxy-15-methyl-4-hexadecen-1-yl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[[(2S,3R,4E)-3-hydroxy-15-methyl-2-[(1-oxoheptadecyl)amino]-4-hexadecen-1-yl]oxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
N-heptadecanoyl-15-methylhexadecasphingosine-1-phosphocholine
Phosphate de (2S,3R,4E)-2-(heptadecanoylamino)-3-hydroxy-15-méthyl-4-hexadécén-1-yle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2S,3R,4E)-2-(heptadecanoylamino)-3-hydroxy-15-methylhexadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
N-heptadecanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine
SM 34:1

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

2 [DBID]

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: 9.34
ACD/LogD (pH 5.5): 6.75
ACD/BCF (pH 5.5): 110134.66
ACD/KOC (pH 5.5): 209463.95
ACD/LogD (pH 7.4): 6.75
ACD/BCF (pH 7.4): 110138.41
ACD/KOC (pH 7.4): 209471.08
Polar Surface Area: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

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