ChemSpider 2D Image | (2R)-2-Hydroxy-3-{[(4Z)-2-methoxy-4-hexadecen-1-yl]oxy}propyl 2-(trimethylammonio)ethyl phosphate | C25H52NO7P

(2R)-2-Hydroxy-3-{[(4Z)-2-methoxy-4-hexadecen-1-yl]oxy}propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC25H52NO7P
  • Average mass509.657 Da
  • Monoisotopic mass509.348145 Da
  • ChemSpider ID8729109

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-2-Hydroxy-3-{[(4Z)-2-methoxy-4-hexadecen-1-yl]oxy}propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-Hydroxy-3-{[(4Z)-2-methoxy-4-hexadecen-1-yl]oxy}propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-2-hydroxy-3-[[(4Z)-2-methoxy-4-hexadecen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-hydroxy-3-{[(4Z)-2-méthoxy-4-hexadécén-1-yl]oxy}propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
1-O-(2-methoxy-4Z-hexadecenyl)-sn-glycero-3-phosphocholine

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: 8
#H bond donors: 2
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 1
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 11.95
ACD/KOC (pH 5.5): 304.35
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 11.95
ACD/KOC (pH 7.4): 304.36
Polar Surface Area: 107 Å2
Polarizability:
Surface Tension:
Molar Volume:

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