ChemSpider 2D Image | (2S,3R)-3-Hydroxy-2-{(Z)-[(11E)-1-hydroxy-11-octadecen-1-ylidene]amino}octadecyl 2-(trimethylammonio)ethyl phosphate | C41H83N2O6P

(2S,3R)-3-Hydroxy-2-{(Z)-[(11E)-1-hydroxy-11-octadecen-1-ylidene]amino}octadecyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC41H83N2O6P
  • Average mass731.081 Da
  • Monoisotopic mass730.598877 Da
  • ChemSpider ID59696518

  • 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)-3-Hydroxy-2-{(Z)-[(11E)-1-hydroxy-11-octadecen-1-yliden]amino}octadecyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
(2S,3R)-3-Hydroxy-2-{(Z)-[(11E)-1-hydroxy-11-octadecen-1-ylidene]amino}octadecyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[[(2S,3R)-3-hydroxy-2-[[(1Z,11E)-1-hydroxy-11-octadecen-1-ylidene]amino]octadecyl]oxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2S,3R)-3-hydroxy-2-{(Z)-[(11E)-1-hydroxy-11-octadécén-1-ylidène]amino}octadécyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2S,3R)-3-hydroxy-2-(octadec-11-enamido)octadecyl phosphonato]oxy}ethyl)trimethylazanium
SM(d18:0/18:1(11Z))

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: 38
#Rule of 5 Violations: 2
ACD/LogP: 11.11
ACD/LogD (pH 5.5): 8.71
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2444410.00
ACD/LogD (pH 7.4): 8.71
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2453530.75
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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