ChemSpider 2D Image | Methyl (3beta,15alpha,16Z)-9,17-dimethoxycoryn-16-en-16-carboxylate | C23H30N2O4

Methyl (3β,15α,16Z)-9,17-dimethoxycoryn-16-en-16-carboxylate

  • Molecular FormulaC23H30N2O4
  • Average mass398.495 Da
  • Monoisotopic mass398.220551 Da
  • ChemSpider ID114391165

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3β,15α,16Z)-9,17-Diméthoxycoryn-16-én-16-carboxylate 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-8-methoxy-α-(methoxymethylene)-, methyl ester, (αZ,2R,3R,12bR)- [ACD/Index Name]
Methyl (3β,15α,16Z)-9,17-dimethoxycoryn-16-en-16-carboxylate [ACD/IUPAC Name]
Methyl-(3β,15α,16Z)-9,17-dimethoxycoryn-16-en-16-carboxylat [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

Click to predict properties on the Chemicalize site


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