ChemSpider 2D Image | 2-Ammonioethyl (2R)-2,3-bis[(~2~H_27_)tetradecanoyloxy]propyl phosphate | C33H12D54NO8P

2-Ammonioethyl (2R)-2,3-bis[(2H27)tetradecanoyloxy]propyl phosphate

  • Molecular FormulaC33H12D54NO8P
  • Average mass690.185 Da
  • Monoisotopic mass689.791565 Da
  • ChemSpider ID21403068

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2-Ammonioethyl (2R)-2,3-bis[(2H27)tetradecanoyloxy]propyl phosphate [ACD/IUPAC Name]
2-Ammonioethyl-(2R)-2,3-bis[(2H27)tetradecanoyloxy]propylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[[(2R)-2,3-bis[(1-oxotetradecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-d27)oxy]propoxy]hydroxyphosphinyl]oxy]-, inner salt [ACD/Index Name]
Phosphate de 2-ammonioéthyle et de (2R)-2,3-bis[(2H27)tetradecanoyloxy]propyle [French] [ACD/IUPAC Name]
1,2-Dimyristoyl-D54-sn-Glycero-3-Phosphoethanolamine
14:0 PE-d54
2-Azaniumylethyl (2R)-2,3-bis[(2H27)tetradecanoyloxy]propyl phosphate
326495-41-4 [RN]
MFCD00036775

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 685.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 109.6±6.0 kJ/mol
Flash Point: 368.5±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 2
ACD/LogP: 11.58
ACD/LogD (pH 5.5): 8.23
ACD/BCF (pH 5.5): 263666.72
ACD/KOC (pH 5.5): 51411.02
ACD/LogD (pH 7.4): 8.13
ACD/BCF (pH 7.4): 212419.19
ACD/KOC (pH 7.4): 41418.53
Polar Surface Area: 149 Å2
Polarizability:
Surface Tension:
Molar Volume:

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