ChemSpider 2D Image | (2R)-3-{[(S)-(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl stearate | C39H78NO8P

(2R)-3-{[(S)-(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl stearate

  • Molecular FormulaC39H78NO8P
  • Average mass720.012 Da
  • Monoisotopic mass719.546509 Da
  • ChemSpider ID393306

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-{[(S)-(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl stearate [ACD/IUPAC Name]
(2R)-3-{[(S)-(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxohexadecyl)oxy]propyl ester (9CI)
Octadecanoic acid, (2R)-3-[[(S)-(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxohexadecyl)oxy]propyl ester [ACD/Index Name]
Stéarate de (2R)-3-{[(S)-(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
(2-aminoethoxy)[(2R)-2-(hexadecanoyloxy)-3-(octadecanoyloxy)propoxy]phosphinic acid
1-octadecanoyl-2-hexadecanoyl-glycero-3-phosphoethanolamine
1-Stearoyl-2-palmitoyl-sn-glycero-3-phosphoethanolamine
2-AMINOETHOXY((2R)-2-(HEXADECANOYLOXY)-3-(OCTADECANOYLOXY)PROPOXY)PHOSPHINIC ACID
2-aminoethoxy(2R)-2-(hexadecanoyloxy)-3-(octadecanoyloxy)propoxyphosphinic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.0±0.1 g/cm3
Boiling Point: 742.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 117.8±6.0 kJ/mol
Flash Point: 402.6±35.7 °C
Index of Refraction: 1.474
Molar Refractivity: 201.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 14.77
ACD/LogD (pH 5.5): 10.57
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 967952.75
ACD/LogD (pH 7.4): 10.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 779816.75
Polar Surface Area: 144 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 717.7±3.0 cm3

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