ChemSpider 2D Image | (1r)-2-{[(S)-(2-Aminoethoxy)(Hydroxy)phosphoryl]oxy}-1-[(Heptanoyloxy)methyl]ethyl Octadecanoate | C30H60NO8P

(1r)-2-{[(S)-(2-Aminoethoxy)(Hydroxy)phosphoryl]oxy}-1-[(Heptanoyloxy)methyl]ethyl Octadecanoate

  • Molecular FormulaC30H60NO8P
  • Average mass593.773 Da
  • Monoisotopic mass593.405640 Da
  • ChemSpider ID25056639

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(10R)-16-Amino-13-hydroxy-13-oxido-7-oxo-8,12,14-trioxa-13λ5-phosphahexadecan-10-yl stearate [ACD/IUPAC Name]
(10R)-16-Amino-13-hydroxy-13-oxido-7-oxo-8,12,14-trioxa-13λ5-phosphahexadecan-10-ylstearat [German] [ACD/IUPAC Name]
(1r)-2-{[(S)-(2-Aminoethoxy)(Hydroxy)phosphoryl]oxy}-1-[(Heptanoyloxy)methyl]ethyl Octadecanoate
Octadecanoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxoheptyl)oxy]methyl]ethyl ester [ACD/Index Name]
Stéarate de (10R)-16-amino-13-hydroxy-7-oxo-13-oxydo-8,12,14-trioxa-13λ5-phosphahexadécan-10-yle [French] [ACD/IUPAC Name]
1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
3PE
9PE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 656.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±6.0 kJ/mol
Flash Point: 350.7±34.3 °C
Index of Refraction: 1.474
Molar Refractivity: 160.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 9.98
ACD/LogD (pH 5.5): 6.35
ACD/BCF (pH 5.5): 9852.54
ACD/KOC (pH 5.5): 4889.46
ACD/LogD (pH 7.4): 6.25
ACD/BCF (pH 7.4): 7937.76
ACD/KOC (pH 7.4): 3939.23
Polar Surface Area: 144 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 569.1±3.0 cm3

Click to predict properties on the Chemicalize site


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