ChemSpider 2D Image | (3beta,4alpha,16beta,17alpha,20alpha)-17-Hydroxyyohimban-4-ium-16-carboxylate | C20H24N2O3

(3β,4α,16β,17α,20α)-17-Hydroxyyohimban-4-ium-16-carboxylate

  • Molecular FormulaC20H24N2O3
  • Average mass340.416 Da
  • Monoisotopic mass340.178680 Da
  • ChemSpider ID62372636

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3β,4α,16β,17α,20α)-17-Hydroxyjohimban-4-ium-16-carboxylat [German] [ACD/IUPAC Name]
(3β,4α,16β,17α,20α)-17-Hydroxyyohimban-4-ium-16-carboxylate [ACD/IUPAC Name]
(3β,4α,16β,17α,20α)-17-Hydroxyyohimban-4-ium-16-carboxylate [French] [ACD/IUPAC Name]
Yohimban-4-ium, 16-carboxy-17-hydroxy-, inner salt, (3β,4α,16β,17α,20α)- [ACD/Index Name]

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

Density:
Boiling Point: 600.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 316.6±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.42
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.41
Polar Surface Area: 81 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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