ChemSpider 2D Image | (2R)-2-[(9Z,11Z,13Z,15Z)-9,11,13,15-Octadecatetraenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate | C42H76NO8P

(2R)-2-[(9Z,11Z,13Z,15Z)-9,11,13,15-Octadecatetraenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC42H76NO8P
  • Average mass754.029 Da
  • Monoisotopic mass753.530884 Da
  • ChemSpider ID4944008

  • 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-[(9Z,11Z,13Z,15Z)-9,11,13,15-Octadecatetraenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(9Z,11Z,13Z,15Z)-9,11,13,15-Octadecatetraenoyloxy]-3-(palmitoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[(1-oxohexadecyl)oxy]-2-[[(9Z,11Z,13Z,15Z)-1-oxo-9,11,13,15-octadecatetraen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(9Z,11Z,13Z,15Z)-9,11,13,15-octadecatetraenoyloxy]-3-(palmitoyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z,11Z,13Z,15Z)-OCTADECA-9,11,13,15-TETRAENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM
1-hexadecanoyl-2-(9Z,11Z,13Z,15Z-octadecatetraenoyl)-sn-glycero-3-phosphocholine
1-Palmitoyl-2-(trans-parinaroyl)-sn-glycero-3-phosphocholine
1-Palmitoyl-2-parinaroylphosphatidylcholine
1-Palmitoyl-2-parinoyl-phosphatidylcholine
3,5,8-Trioxa-4-phosphahexacosa-17,19,21,23-tetraen-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7(((1-oxohexadecyl)oxy)methyl)-, hydroxide, inner salt, 4-oxide, (R-(all-E))-
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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: 9
#H bond donors: 1
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 9.87
ACD/LogD (pH 5.5): 8.15
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1213085.50
ACD/LogD (pH 7.4): 8.15
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1213126.75
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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