ChemSpider 2D Image | Methyl (16E,20beta)-16-(methoxymethylene)-9-[(~2~H_3_)methyloxy]corynan-17-oate | C23H27D3N2O4

Methyl (16E,20β)-16-(methoxymethylene)-9-[(2H3)methyloxy]corynan-17-oate

  • Molecular FormulaC23H27D3N2O4
  • Average mass401.514 Da
  • Monoisotopic mass401.239380 Da
  • ChemSpider ID82827101

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(16E,20β)-16-(Méthoxyméthylène)-9-[(2H3)méthyloxy]corynan-17-oate de méthyle [French] [ACD/IUPAC Name]
Indolo[2,3-a]quinolizine-2-acetic acid, 3-ethyl-1,2,3,4,6,7,12,12b-octahydro-α-(methoxymethylene)-8-(methyl-d3-oxy)-, methyl ester, (αE,2S,3S,12bS)- [ACD/Index Name]
Methyl (16E,20β)-16-(methoxymethylene)-9-[(2H3)methyloxy]corynan-17-oate [ACD/IUPAC Name]
Methyl-(16E,20β)-16-(methoxymethylen)-9-[(2H3)methyloxy]corynan-17-oat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 560.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.7±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 112.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 1.92
ACD/KOC (pH 5.5): 10.07
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 92.02
ACD/KOC (pH 7.4): 482.14
Polar Surface Area: 64 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 326.5±5.0 cm3

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