ChemSpider 2D Image | N-(2-hydroxytricosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine | C45H91N2O7P

N-(2-hydroxytricosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine

  • Molecular FormulaC45H91N2O7P
  • Average mass803.187 Da
  • Monoisotopic mass802.656372 Da
  • ChemSpider ID28533371

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2S,3R,4E)-3-Hydroxy-2-[(2-hydroxytricosanoyl)amino]-15-methyl-4-hexadecen-1-yl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2S,3R,4E)-3-Hydroxy-2-[(2-hydroxytricosanoyl)amino]-15-methyl-4-hexadecen-1-yl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[[(2S,3R,4E)-3-hydroxy-2-[(2-hydroxy-1-oxotricosyl)amino]-15-methyl-4-hexadecen-1-yl]oxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
N-(2-hydroxytricosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
Phosphate de (2S,3R,4E)-3-hydroxy-2-[(2-hydroxytricosanoyl)amino]-15-méthyl-4-hexadécén-1-yle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]

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: 9
#H bond donors: 4
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 12.02
ACD/LogD (pH 5.5): 9.32
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5240937.50
ACD/LogD (pH 7.4): 9.32
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5241098.50
Polar Surface Area: 138 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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