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

(2S)-2-[(9Z)-9-Octadecenoyloxy]-3-(stearoyloxy)propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC44H86NO8P
  • Average mass788.129 Da
  • Monoisotopic mass787.609131 Da
  • ChemSpider ID21169097

  • 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

(2S)-2-[(9Z)-9-Octadecenoyloxy]-3-(stearoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2S)-2-[(9Z)-9-Octadecenoyloxy]-3-(stearoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
(2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
Ethanaminium, 2-[[hydroxy[(2S)-2-[[(9Z)-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 (2S)-2-[(9Z)-9-octadecenoyloxy]-3-(stearoyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine
2502-98-9 [RN]
3-STERAOYL-2-OLEOYL-SN-GLYCERO-1-PHOSPHORYLCHOLINE

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

nchembio.77-comp8 [DBID]

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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