ChemSpider 2D Image | (2R)-2,3-Bis(henicosanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate | C50H100NO8P

(2R)-2,3-Bis(henicosanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC50H100NO8P
  • Average mass874.305 Da
  • Monoisotopic mass873.718628 Da
  • ChemSpider ID24822672
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2,3-Bis(henicosanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2,3-Bis(henicosanoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[[(2R)-2,3-bis[(1-oxoheneicosyl)oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2,3-bis(henicosanoyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
21:0 PC
253685-28-8 [RN]
MFCD00674310
PC(21:0/21:0)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 16.19
ACD/LogD (pH 5.5): 14.32
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.32
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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