ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl (13,13,14,14,15,15,16,16,16-~2~H_9_)hexadecanoate | C37H65D9NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl (13,13,14,14,15,15,16,16,16-2H9)hexadecanoate

  • Molecular FormulaC37H65D9NO8P
  • Average mass701.015 Da
  • Monoisotopic mass700.571716 Da
  • ChemSpider ID79413376

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(13,13,14,14,15,15,16,16,16-2H9)Hexadécanoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl (13,13,14,14,15,15,16,16,16-2H9)hexadecanoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl-(13,13,14,14,15,15,16,16,16-2H9)hexadecanoat [German] [ACD/IUPAC Name]
Hexadecanoic-13,13,14,14,15,15,16,16,16-d9 acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxohexadecyl)oxy]propyl ester [ACD/Index Name]
1-Palmitoyl-d9-2-Palmitoyl-sn-glycero-3-PE
2747990-85-6 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 723.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 115.1±6.0 kJ/mol
Flash Point: 391.4±35.7 °C
Index of Refraction: 1.474
Molar Refractivity: 192.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 13.70
ACD/LogD (pH 5.5): 9.80
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 369216.22
ACD/LogD (pH 7.4): 9.71
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 297453.56
Polar Surface Area: 144 Å2
Polarizability: 76.3±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 684.7±3.0 cm3

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