ChemSpider 2D Image | (2R)-2-[(6Z,9Z)-6,9-Octadecadienoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate | C42H80NO8P

(2R)-2-[(6Z,9Z)-6,9-Octadecadienoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC42H80NO8P
  • Average mass758.060 Da
  • Monoisotopic mass757.562134 Da
  • ChemSpider ID4943719
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2-[(6Z,9Z)-6,9-Octadecadienoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(6Z,9Z)-6,9-Octadecadienoyloxy]-3-(palmitoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[(1-oxohexadecyl)oxy]-2-[[(6Z,9Z)-1-oxo-6,9-octadecadien-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(6Z,9Z)-6,9-octadecadienoyloxy]-3-(palmitoyloxy)propyle et de 2-(trim├ęthylammonio)├ęthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(6Z,9Z)-OCTADECA-6,9-DIENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM
130614-06-1 [RN]
1-Palmitoyl-2-isolinoleoyl phosphatidylcholine
3,5,8-Trioxa-4-phosphahexacosa-14,17-dien-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-(((1-oxohexadecyl)oxy)methyl)-, hydroxide, inner salt, 4-oxide, (R-(Z,Z))-
PiLPC

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

Density:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 10.97
ACD/LogD (pH 5.5): 9.76
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 9150631.00
ACD/LogD (pH 7.4): 9.76
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 9150943.00
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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