ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl (13,13,14,14,15,15,16,16,16-~2~H_9_)hexadecanoate | C21H35D9NO7P

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

  • Molecular FormulaC21H35D9NO7P
  • Average mass462.606 Da
  • Monoisotopic mass462.342041 Da
  • ChemSpider ID79413365

  • 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-hydroxypropyle [French] [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl (13,13,14,14,15,15,16,16,16-2H9)hexadecanoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl-(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-hydroxypropyl ester [ACD/Index Name]
1-Palmitoyl-d9-2-hydroxy-sn-glycero-3-PE
2747981-09-3 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 576.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.1±6.0 kJ/mol
Flash Point: 302.4±32.9 °C
Index of Refraction: 1.481
Molar Refractivity: 118.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 13.74
ACD/KOC (pH 5.5): 44.20
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 11.14
ACD/KOC (pH 7.4): 35.83
Polar Surface Area: 138 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 414.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement