ChemSpider 2D Image | 1-[(9Z)-hexadecenyl]-2-acetyl-sn-glycero-3-phosphocholine | C26H52NO7P

1-[(9Z)-hexadecenyl]-2-acetyl-sn-glycero-3-phosphocholine

  • Molecular FormulaC26H52NO7P
  • Average mass521.667 Da
  • Monoisotopic mass521.348145 Da
  • ChemSpider ID58827376
  • 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-[(9Z)-9-hexadecen-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-Acetoxy-3-[(9Z)-9-hexadecen-1-yloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
1-[(9Z)-hexadecenyl]-2-acetyl-sn-glycero-3-phosphocholine
Ethanaminium, 2-[[[(2R)-2-(acetyloxy)-3-[(9Z)-9-hexadecen-1-yloxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-acétoxy-3-[(9Z)-9-hexadécén-1-yloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2R)-2-(acetyloxy)-3-{[(9Z)-hexadec-9-en-1-yl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
PC(O-16:1(9Z)/2:0)
phosphatidylcholine (O-16:1(9Z)/2:0)

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: 25
#Rule of 5 Violations: 1
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 15.50
ACD/KOC (pH 5.5): 366.52
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 15.50
ACD/KOC (pH 7.4): 366.54
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

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