ChemSpider 2D Image | 11,17-Dimethoxy-16-(methoxycarbonyl)-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-4-ium | C33H41N2O9

11,17-Dimethoxy-16-(methoxycarbonyl)-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-4-ium

  • Molecular FormulaC33H41N2O9
  • Average mass609.686 Da
  • Monoisotopic mass609.280640 Da
  • ChemSpider ID21433521
  • Charge - Charge


More details:






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

11,17-Dimethoxy-16-(methoxycarbonyl)-18-[(3,4,5-trimethoxybenzoyl)oxy]johimban-4-ium [German] [ACD/IUPAC Name]
11,17-Dimethoxy-16-(methoxycarbonyl)-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-4-ium [ACD/IUPAC Name]
11,17-Diméthoxy-16-(méthoxycarbonyl)-18-[(3,4,5-triméthoxybenzoyl)oxy]yohimban-4-ium [French] [ACD/IUPAC Name]
Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, conjugate monoacid [ACD/Index Name]

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

ZINC05226650 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
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:
Molar Refractivity:
#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: 119 Å2
Polarizability:
Surface Tension:
Molar Volume:

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