ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(5Z,8Z,11Z)-13-(3-pentyl-2-oxiranyl)-5,8,11-tridecatrienoyl]oxy}propyl stearate | C43H78NO9P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(5Z,8Z,11Z)-13-(3-pentyl-2-oxiranyl)-5,8,11-tridecatrienoyl]oxy}propyl stearate

  • Molecular FormulaC43H78NO9P
  • Average mass784.055 Da
  • Monoisotopic mass783.541443 Da
  • ChemSpider ID117217479

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(5Z,8Z,11Z)-13-(3-pentyl-2-oxiranyl)-5,8,11-tridecatrienoyl]oxy}propyl stearate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(5Z,8Z,11Z)-13-(3-pentyl-2-oxiranyl)-5,8,11-tridecatrienoyl]oxy}propylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(5Z,8Z,11Z)-1-oxo-13-(3-pentyloxiranyl)-5,8,11-tridecatrien-1-yl]oxy]propyl ester [ACD/Index Name]
Stéarate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-{[(5Z,8Z,11Z)-13-(3-pentyl-2-oxiranyl)-5,8,11-tridecatrienoyl]oxy}propyle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 791.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.1±6.0 kJ/mol
Flash Point: 432.3±35.7 °C
Index of Refraction: 1.493
Molar Refractivity: 220.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 13.56
ACD/LogD (pH 5.5): 9.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 211414.72
ACD/LogD (pH 7.4): 9.26
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 170315.28
Polar Surface Area: 157 Å2
Polarizability: 87.2±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 756.4±3.0 cm3

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