ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-11-(3-pentyl-2-oxiranyl)-9-undecenoyl]oxy}propyl icosanoate | C43H82NO9P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-11-(3-pentyl-2-oxiranyl)-9-undecenoyl]oxy}propyl icosanoate

  • Molecular FormulaC43H82NO9P
  • Average mass788.086 Da
  • Monoisotopic mass787.572693 Da
  • ChemSpider ID117218127

  • 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-{[(9Z)-11-(3-pentyl-2-oxiranyl)-9-undecenoyl]oxy}propyl icosanoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-11-(3-pentyl-2-oxiranyl)-9-undecenoyl]oxy}propyl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(9Z)-1-oxo-11-(3-pentyloxiranyl)-9-undecen-1-yl]oxy]propyl ester [ACD/Index Name]
Icosanoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-11-(3-pentyl-2-oxiranyl)-9-undecenoyl]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: 791.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.2±6.0 kJ/mol
Flash Point: 432.7±35.7 °C
Index of Refraction: 1.484
Molar Refractivity: 219.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 14.57
ACD/LogD (pH 5.5): 10.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 702297.94
ACD/LogD (pH 7.4): 10.22
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 565795.25
Polar Surface Area: 157 Å2
Polarizability: 87.2±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 769.2±3.0 cm3

Click to predict properties on the Chemicalize site


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