ChemSpider 2D Image | (2R)-2-(Henicosanoyloxy)-3-(tridecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate | C42H84NO8P

(2R)-2-(Henicosanoyloxy)-3-(tridecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC42H84NO8P
  • Average mass762.092 Da
  • Monoisotopic mass761.593445 Da
  • ChemSpider ID24822278
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2-(Henicosanoyloxy)-3-(tridecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-(Henicosanoyloxy)-3-(tridecanoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-2-[(1-oxoheneicosyl)oxy]-3-[(1-oxotridecyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-(henicosanoyloxy)-3-(tridecanoyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
1-tridecanoyl-2-heneicosanoyl-sn-glycero-3-phosphocholine
PC(13:0/21:0)
PC(13:0_21:0)
PC(34:0)

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

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: 1
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 11.94
ACD/LogD (pH 5.5): 10.91
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.91
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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