ChemSpider 2D Image | (2R)-2-[(9E)-9-Octadecenoyloxy]-3-(stearoyloxy)propyl 2-(trimethylammonio)ethyl phosphate | C44H86NO8P

(2R)-2-[(9E)-9-Octadecenoyloxy]-3-(stearoyloxy)propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC44H86NO8P
  • Average mass788.129 Da
  • Monoisotopic mass787.609131 Da
  • ChemSpider ID24822459

  • 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-[(9E)-9-Octadecenoyloxy]-3-(stearoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(9E)-9-Octadecenoyloxy]-3-(stearoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-2-[[(9E)-1-oxo-9-octadecen-1-yl]oxy]-3-[(1-oxooctadecyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(9E)-9-octadecenoyloxy]-3-(stearoyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
1-octadecanoyl-2-(9E-octadecenoyl)-sn-glycero-3-phosphocholine
1-OCTADECANOYL-2-[CIS-9-OCTADECENOYL]-SN-GLYCERO-3-PHOSPHOCHOLINE
1-Octadecanoyl-2-octadecenoyl-sn-glycero-3-phosphocholine
2-Oleoyl-1-stearoyl-sn-glycero-3-phosphocholine
56421-10-4 [RN]
6753-56-6 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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: 43
#Rule of 5 Violations: 2
ACD/LogP: 12.48
ACD/LogD (pH 5.5): 11.33
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.33
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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