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Search term: BVXPRKBWXJQRBI (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(8-{3-[(2Z)-2-octen-1-yl]-2-oxiranyl}octanoyl)oxy]propyl (11Z)-11-icosenoate | C43H80NO9P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(8-{3-[(2Z)-2-octen-1-yl]-2-oxiranyl}octanoyl)oxy]propyl (11Z)-11-icosenoate

  • Molecular FormulaC43H80NO9P
  • Average mass786.070 Da
  • Monoisotopic mass785.557068 Da
  • ChemSpider ID117218211
  • 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

(11Z)-11-Icosénoate 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]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(8-{3-[(2Z)-2-octen-1-yl]-2-oxiranyl}octanoyl)oxy]propyl (11Z)-11-icosenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(8-{3-[(2Z)-2-octen-1-yl]-2-oxiranyl}octanoyl)oxy]propyl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
2-Oxiraneoctanoic acid, 3-[(2Z)-2-octen-1-yl]-, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(11Z)-1-oxo-11-eicosen-1-yl]oxy]methyl]ethyl ester [ACD/Index 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: 791.6±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: 432.5±35.7 °C
Index of Refraction: 1.488
Molar Refractivity: 220.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 14.05
ACD/LogD (pH 5.5): 8.69
ACD/BCF (pH 5.5): 588915.38
ACD/KOC (pH 5.5): 91382.91
ACD/LogD (pH 7.4): 8.59
ACD/BCF (pH 7.4): 474450.44
ACD/KOC (pH 7.4): 73621.21
Polar Surface Area: 157 Å2
Polarizability: 87.2±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 762.8±3.0 cm3

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