ChemSpider 2D Image | 1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine | C29H56NO9P

1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine

  • Molecular FormulaC29H56NO9P
  • Average mass593.730 Da
  • Monoisotopic mass593.369263 Da
  • ChemSpider ID19160424

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-[(5-Oxopentanoyl)oxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(5-Oxopentanoyl)oxy]-3-(palmitoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine
Ethanaminium, 2-[[[(2R)-2-[(1,5-dioxopentyl)oxy]-3-[(1-oxohexadecyl)oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(5-oxopentanoyl)oxy]-3-(palmitoyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2R)-3-(hexadecanoyloxy)-2-[(5-oxopentanoyl)oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
[(2R)-3-hexadecanoyloxy-2-(5-oxopentanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
[121324-31-0] [RN]
121324-31-0 [RN]
1-hexadecanoyl-2-(5-oxopentanoyl)-sn-glycero-3-phosphocholine
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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: 10
#H bond donors: 1
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 123.96
ACD/KOC (pH 5.5): 1623.72
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 123.97
ACD/KOC (pH 7.4): 1623.78
Polar Surface Area: 138 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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