ChemSpider 2D Image | (3beta,16beta,17alpha,18beta,20alpha)-11,17-Dimethoxy-16-(methoxycarbonyl)-18-[2-(4-methoxyphenoxy)acetoxy]yohimban-4-ium | C32H39N2O8

(3β,16β,17α,18β,20α)-11,17-Dimethoxy-16-(methoxycarbonyl)-18-[2-(4-methoxyphenoxy)acetoxy]yohimban-4-ium

  • Molecular FormulaC32H39N2O8
  • Average mass579.660 Da
  • Monoisotopic mass579.270081 Da
  • ChemSpider ID10119257

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3β,16β,17α,18β,20α)-11,17-Dimethoxy-16-(methoxycarbonyl)-18-[2-(4-methoxyphenoxy)acetoxy]johimban-4-ium [German] [ACD/IUPAC Name]
(3β,16β,17α,18β,20α)-11,17-Dimethoxy-16-(methoxycarbonyl)-18-[2-(4-methoxyphenoxy)acetoxy]yohimban-4-ium [ACD/IUPAC Name]
(3β,16β,17α,18β,20α)-11,17-Diméthoxy-16-(méthoxycarbonyl)-18-[2-(4-méthoxyphénoxy)acétoxy]yohimban-4-ium [French] [ACD/IUPAC Name]
Yohimban-4-ium, 11,17-dimethoxy-16-(methoxycarbonyl)-18-[[2-(4-methoxyphenoxy)acetyl]oxy]-, (3β,16β,17α,18β,20α)- [ACD/Index Name]

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

ZINC08385820 [DBID]

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

Density:
Boiling Point: 710.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 383.2±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 13.68
ACD/KOC (pH 5.5): 72.44
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 440.08
ACD/KOC (pH 7.4): 2331.22
Polar Surface Area: 110 Å2
Polarizability:
Surface Tension:
Molar Volume:

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