ChemSpider 2D Image | (2R)-3-{[(3Z)-5-{(1S,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3R)-3-hydroxy-1-octen-1-yl]cyclopentyl}-3-pentenoyl]oxy}-2-[(9Z)-9-hexadecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C42H76NO11P

(2R)-3-{[(3Z)-5-{(1S,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3R)-3-hydroxy-1-octen-1-yl]cyclopentyl}-3-pentenoyl]oxy}-2-[(9Z)-9-hexadecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC42H76NO11P
  • Average mass802.027 Da
  • Monoisotopic mass801.515625 Da
  • ChemSpider ID128425296

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R)-3-{[(3Z)-5-{(1S,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3R)-3-hydroxy-1-octen-1-yl]cyclopentyl}-3-pentenoyl]oxy}-2-[(9Z)-9-hexadecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-{[(3Z)-5-{(1S,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3R)-3-hydroxy-1-octen-1-yl]cyclopentyl}-3-pentenoyl]oxy}-2-[(9Z)-9-hexadecenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[[(2R)-3-[[(3Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-1-octen-1-yl]cyclopentyl]-1-oxo-3-penten-1-yl]oxy]-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propoxy]hydroxyphosphinyl]ox y]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-{[(3Z)-5-{(1S,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-1-octén-1-yl]cyclopentyl}-3-pentenoyl]oxy}-2-[(9Z)-9-hexadecenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]

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: 12
#H bond donors: 4
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 2
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 242.26
ACD/KOC (pH 5.5): 2623.03
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 242.27
ACD/KOC (pH 7.4): 2623.12
Polar Surface Area: 182 Å2
Polarizability:
Surface Tension:
Molar Volume:

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