ChemSpider 2D Image | (2R)-3-[(9Z)-9-Tetradecenoyloxy]-2-{[(5E,9alpha,11alpha,13E,15S)-9,11,15-trihydroxy-1-oxoprosta-5,13-dien-1-yl]oxy}propyl 2-(trimethylammonio)ethyl phosphate | C42H76NO11P

(2R)-3-[(9Z)-9-Tetradecenoyloxy]-2-{[(5E,9α,11α,13E,15S)-9,11,15-trihydroxy-1-oxoprosta-5,13-dien-1-yl]oxy}propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC42H76NO11P
  • Average mass802.027 Da
  • Monoisotopic mass801.515625 Da
  • ChemSpider ID128425238

  • 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-[(9Z)-9-Tetradecenoyloxy]-2-{[(5E,9α,11α,13E,15S)-9,11,15-trihydroxy-1-oxoprosta-5,13-dien-1-yl]oxy}propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(9Z)-9-Tetradecenoyloxy]-2-{[(5E,9α,11α,13E,15S)-9,11,15-trihydroxy-1-oxoprosta-5,13-dien-1-yl]oxy}propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]-2-[[(5E,9α,11α,13E,15S)-9,11,15-trihydroxy-1-oxoprosta-5,13-dien-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner s alt [ACD/Index Name]
Phosphate de (2R)-3-[(9Z)-9-tetradecenoyloxy]-2-{[(5E,9α,11α,13E,15S)-9,11,15-trihydroxy-1-oxoprosta-5,13-dién-1-yl]oxy}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: 4.38
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 166.84
ACD/KOC (pH 5.5): 2008.44
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 166.85
ACD/KOC (pH 7.4): 2008.50
Polar Surface Area: 182 Å2
Polarizability:
Surface Tension:
Molar Volume:

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