ChemSpider 2D Image | (4E)-2-(Heptadecanoylamino)-3-hydroxy-4-octadecen-1-yl 2-(trimethylammonio)ethyl phosphate | C40H81N2O6P

(4E)-2-(Heptadecanoylamino)-3-hydroxy-4-octadecen-1-yl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC40H81N2O6P
  • Average mass717.055 Da
  • Monoisotopic mass716.583252 Da
  • ChemSpider ID68003875

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-2-(Heptadecanoylamino)-3-hydroxy-4-octadecen-1-yl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(4E)-2-(Heptadecanoylamino)-3-hydroxy-4-octadecen-1-yl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[[(4E)-3-hydroxy-2-[(1-oxoheptadecyl)amino]-4-octadecen-1-yl]oxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (4E)-2-(heptadecanoylamino)-3-hydroxy-4-octadécén-1-yle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(E)-2-heptadecanamido-3-hydroxyoctadec-4-en-1-yl (2-(trimethylammonio)ethyl) phosphate
C17 D-erythro/L-threo Sphingomyelin (d18:1/17:0)

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: 10.06
ACD/LogD (pH 5.5): 8.72
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2464557.25
ACD/LogD (pH 7.4): 8.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2464641.00
Polar Surface Area: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement