ChemSpider 2D Image | 2-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-(palmitoyloxy)propyl (9Z)-9-octadecenoate | C39H76NO8P

2-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-(palmitoyloxy)propyl (9Z)-9-octadecenoate

  • Molecular FormulaC39H76NO8P
  • Average mass717.996 Da
  • Monoisotopic mass717.530884 Da
  • ChemSpider ID34997086

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z)-9-Octadécénoate de 2-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-3-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
2-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-(palmitoyloxy)propyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
2-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-(palmitoyloxy)propyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-3-[(1-oxohexadecyl)oxy]propyl ester, (9Z)- [ACD/Index Name]
1035010-98-0 [RN]
1-Oleoyl-3-palmitoyl-rac-glycero-2-phosphoethanolamine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 741.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 117.7±6.0 kJ/mol
Flash Point: 402.2±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 201.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 14.45
ACD/LogD (pH 5.5): 10.02
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 485124.81
ACD/LogD (pH 7.4): 9.92
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 385036.28
Polar Surface Area: 144 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 711.3±3.0 cm3

Click to predict properties on the Chemicalize site


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