ChemSpider 2D Image | Methyl (3beta,16beta,17alpha,18alpha,20alpha)-11,17-dimethoxy-18-[(~2~H_3_)methyloxy]yohimban-16-carboxylate | C24H29D3N2O5

Methyl (3β,16β,17α,18α,20α)-11,17-dimethoxy-18-[(2H3)methyloxy]yohimban-16-carboxylate

  • Molecular FormulaC24H29D3N2O5
  • Average mass431.540 Da
  • Monoisotopic mass431.249939 Da
  • ChemSpider ID58784173
  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(3β,16β,17α,18α,20α)-11,17-Diméthoxy-18-[(2H3)méthyloxy]yohimban-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (3β,16β,17α,18α,20α)-11,17-dimethoxy-18-[(2H3)methyloxy]yohimban-16-carboxylate [ACD/IUPAC Name]
Methyl-(3β,16β,17α,18α,20α)-11,17-dimethoxy-18-[(2H3)methyloxy]johimban-16-carboxylat [German] [ACD/IUPAC Name]
Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-(methyl-d3-oxy)-, methyl ester, (3β,16β,17α,18α,20α)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 566.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.4±30.1 °C
Index of Refraction: 1.608
Molar Refractivity: 117.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 1.28
ACD/KOC (pH 5.5): 11.24
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 54.15
ACD/KOC (pH 7.4): 476.16
Polar Surface Area: 73 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 338.5±5.0 cm3

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