ChemSpider 2D Image | (15xi,16alpha,17alpha)-17-Hydroxyyohimban-16-carboxylic acid | C20H24N2O3

(15ξ,16α,17α)-17-Hydroxyyohimban-16-carboxylic acid

  • Molecular FormulaC20H24N2O3
  • Average mass340.416 Da
  • Monoisotopic mass340.178680 Da
  • ChemSpider ID23260560

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(15ξ,16α,17α)-17-Hydroxyjohimban-16-carbonsäure [German] [ACD/IUPAC Name]
(15ξ,16α,17α)-17-Hydroxyyohimban-16-carboxylic acid [ACD/IUPAC Name]
Acide (15ξ,16α,17α)-17-hydroxyyohimban-16-carboxylique [French] [ACD/IUPAC Name]
Yohimban-16-carboxylic acid, 17-hydroxy-, (15ξ,16α,17α)- [ACD/Index Name]
(1R,2S,4aR,13bS)-2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid
CHEMBL382310
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL382310/

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

Density: 1.4±0.1 g/cm3
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: 1.702
Molar Refractivity: 94.6±0.4 cm3
#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: 77 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 73.8±5.0 dyne/cm
Molar Volume: 244.2±5.0 cm3

Click to predict properties on the Chemicalize site


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