ChemSpider 2D Image | (2R)-2-Acetoxy-3-[(1E)-1-hexadecen-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate | C26H52NO7P

(2R)-2-Acetoxy-3-[(1E)-1-hexadecen-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC26H52NO7P
  • Average mass521.667 Da
  • Monoisotopic mass521.348145 Da
  • ChemSpider ID4952508
  • 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-Acetoxy-3-[(1E)-1-hexadecen-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-Acetoxy-3-[(1E)-1-hexadecen-1-yloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[[(2R)-2-(acetyloxy)-3-[(1E)-1-hexadecen-1-yloxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-acétoxy-3-[(1E)-1-hexadécén-1-yloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
114414-96-9 [RN]
3,5,9-Trioxa-4-phosphapentacos-10-en-1-aminium, 7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide, (R)-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 1
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 176.73
ACD/KOC (pH 5.5): 2092.88
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 176.73
ACD/KOC (pH 7.4): 2092.96
Polar Surface Area: 104 Å2
Surface Tension:
Molar Volume:

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