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ChemSpider 2D Image | (2R)-3-[(1Z)-1-Octadecen-1-yloxy]-2-(tetracosanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate | C50H100NO7P

(2R)-3-[(1Z)-1-Octadecen-1-yloxy]-2-(tetracosanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC50H100NO7P
  • Average mass858.305 Da
  • Monoisotopic mass857.723755 Da
  • ChemSpider ID24767538
  • 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)-3-[(1Z)-1-Octadecen-1-yloxy]-2-(tetracosanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(1Z)-1-Octadecen-1-yloxy]-2-(tetracosanoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[(1Z)-1-octadecen-1-yloxy]-2-[(1-oxotetracosyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-[(1Z)-1-octadécén-1-yloxy]-2-(tetracosanoyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
1-(1-Enyl-stearoyl)-2-lignoceroyl-sn-glycero-3-phosphocholine
GPCho(18:0/24:0)
GPCho(42:0)
http://www.hmdb.ca/metabolites/HMDB0011263
LECITHIN
PC aa C42:0
More...

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

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

Density:
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: 49
#Rule of 5 Violations: 2
ACD/LogP: 16.76
ACD/LogD (pH 5.5): 14.72
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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