ChemSpider 2D Image | MFCD23097077 | C33H31D9N2O9

MFCD23097077

  • Molecular FormulaC33H31D9N2O9
  • Average mass617.734 Da
  • Monoisotopic mass617.329895 Da
  • ChemSpider ID48062906
  • 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)-11,17-Diméthoxy-18-({3,4,5-tris[(2H3)méthyloxy]benzoyl}oxy)yohimban-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
(3β,16β,17α,18β,20α)-11,17-Dimethoxy-18-[[3,4,5-tri(methoxy-d3)benzoyl]oxy]yohimban-16-carboxylic acid methylester
84759-11-5 [RN]
Methyl (3β,16β,17α,18β,20α)-11,17-dimethoxy-18-({3,4,5-tris[(2H3)methyloxy]benzoyl}oxy)yohimban-16-carboxylate [ACD/IUPAC Name]
Methyl-(3β,16β,17α,18β,20α)-11,17-dimethoxy-18-({3,4,5-tris[(2H3)methyloxy]benzoyl}oxy)johimban-16-carboxylat [German] [ACD/IUPAC Name]
MFCD23097077
Reserpine-(3',4',5'-trimethoxy-d9)
Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[[3,4,5-tris(methyl-d3-oxy)benzoyl]oxy]-, methyl ester, (3β,16β,17α,18β,20α)- [ACD/Index Name]
methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[3,4,5-tris(trideuteriomethoxy)benzoyl]oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
MFCD00005091 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 700.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.2±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 160.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 15.70
ACD/KOC (pH 5.5): 80.10
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 503.63
ACD/KOC (pH 7.4): 2569.35
Polar Surface Area: 118 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 458.2±5.0 cm3

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