ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(8-{3-[(2Z)-2-octen-1-yl]-2-oxiranyl}octanoyl)oxy]propyl stearate | C41H78NO9P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(8-{3-[(2Z)-2-octen-1-yl]-2-oxiranyl}octanoyl)oxy]propyl stearate

  • Molecular FormulaC41H78NO9P
  • Average mass760.033 Da
  • Monoisotopic mass759.541443 Da
  • ChemSpider ID117217524

  • 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-[(8-{3-[(2Z)-2-octen-1-yl]-2-oxiranyl}octanoyl)oxy]propyl stearate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(8-{3-[(2Z)-2-octen-1-yl]-2-oxiranyl}octanoyl)oxy]propylstearat [German] [ACD/IUPAC Name]
2-Oxiraneoctanoic acid, 3-[(2Z)-2-octen-1-yl]-, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester [ACD/Index Name]
Stéarate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(8-{3-[(2Z)-2-octén-1-yl]-2-oxiranyl}octanoyl)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: 774.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 122.6±6.0 kJ/mol
Flash Point: 422.2±35.7 °C
Index of Refraction: 1.484
Molar Refractivity: 210.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 13.51
ACD/LogD (pH 5.5): 9.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 193555.34
ACD/LogD (pH 7.4): 9.19
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 155934.81
Polar Surface Area: 157 Å2
Polarizability: 83.5±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 736.2±3.0 cm3

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