ChemSpider 2D Image | Methyl (3beta,16beta,17alpha,18beta,20alpha)-17-methoxy-18-({3,4,5-tris[(~2~H_3_)methyloxy]benzoyl}oxy)yohimban-16-carboxylate | C32H29D9N2O8

Methyl (3β,16β,17α,18β,20α)-17-methoxy-18-({3,4,5-tris[(2H3)methyloxy]benzoyl}oxy)yohimban-16-carboxylate

  • Molecular FormulaC32H29D9N2O8
  • Average mass587.708 Da
  • Monoisotopic mass587.319336 Da
  • ChemSpider ID58781588

  • 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,18β,20α)-17-Méthoxy-18-({3,4,5-tris[(2H3)méthyloxy]benzoyl}oxy)yohimban-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (3β,16β,17α,18β,20α)-17-methoxy-18-({3,4,5-tris[(2H3)methyloxy]benzoyl}oxy)yohimban-16-carboxylate [ACD/IUPAC Name]
Methyl-(3β,16β,17α,18β,20α)-17-methoxy-18-({3,4,5-tris[(2H3)methyloxy]benzoyl}oxy)johimban-16-carboxylat [German] [ACD/IUPAC Name]
Yohimban-16-carboxylic acid, 17-methoxy-18-[[3,4,5-tris(methyl-d3-oxy)benzoyl]oxy]-, methyl ester, (3β,16β,17α,18β,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: 676.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 362.7±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 154.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 6.61
ACD/KOC (pH 5.5): 33.00
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 312.68
ACD/KOC (pH 7.4): 1560.00
Polar Surface Area: 109 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 436.7±5.0 cm3

Click to predict properties on the Chemicalize site


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