ChemSpider 2D Image | (S)-1,2-distearoylphosphatidylethanolaminium | C41H83NO8P

(S)-1,2-distearoylphosphatidylethanolaminium

  • Molecular FormulaC41H83NO8P
  • Average mass749.073 Da
  • Monoisotopic mass748.585083 Da
  • ChemSpider ID16744169
  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(7S) 4-Oxyde de 4-hydroxy-10-oxo-7-(stearoyloxy)-3,5,9-trioxa-4-phosphaheptacosan-1-aminium [French] [ACD/IUPAC Name]
(7S)-4-Hydroxy-10-oxo-7-(stearoyloxy)-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide [ACD/IUPAC Name]
(7S)-4-Hydroxy-10-oxo-7-(stearoyloxy)-3,5,9-trioxa-4-phosphaheptacosan-1-aminium-4-oxid [German] [ACD/IUPAC Name]
(S)-1,2-distearoylphosphatidylethanolaminium
Octadecanoic acid, (1S)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, conjugate acid [ACD/Index Name]
(2-azaniumylethoxy)[(2S)-2,3-bis(octadecanoyloxy)propoxy]phosphinic acid
(7S)-4-hydroxy-7-(octadecanoyloxy)-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide
phosphatidylethanolamine [Wiki]

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

CHEBI:44887 [DBID]
PH7 [DBID]
  • Miscellaneous
    • Chemical Class:

      An ammonium ion that is the conjugate acid of (S)-1,2-distearoylphosphatidylethanolamine, arising from protonation of the amino group. ChEBI CHEBI:44887

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

Density:
Boiling Point: 760.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.5±6.0 kJ/mol
Flash Point: 413.5±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 15.83
ACD/LogD (pH 5.5): 11.34
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2552900.75
ACD/LogD (pH 7.4): 11.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2056706.63
Polar Surface Area: 146 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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