ChemSpider 2D Image | (1R,9R,13R)-1-(Dimethylamino)-5-oxo-13-vinyl-6-azatricyclo[7.3.1.0~2,7~]trideca-2(7),3,10-triene-11-carboxylic acid | C17H20N2O3

(1R,9R,13R)-1-(Dimethylamino)-5-oxo-13-vinyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-triene-11-carboxylic acid

  • Molecular FormulaC17H20N2O3
  • Average mass300.352 Da
  • Monoisotopic mass300.147400 Da
  • ChemSpider ID24717751

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,9R,13R)-1-(Dimethylamino)-5-oxo-13-vinyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-11-carbonsäure [German] [ACD/IUPAC Name]
(1R,9R,13R)-1-(Dimethylamino)-5-oxo-13-vinyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-triene-11-carboxylic acid [ACD/IUPAC Name]
5,9-Methanocycloocta[b]pyridine-7-carboxylic acid, 5-(dimethylamino)-11-ethenyl-1,2,5,6,9,10-hexahydro-2-oxo-, (5R,9R,11R)- [ACD/Index Name]
Acide (1R,9R,13R)-1-(diméthylamino)-5-oxo-13-vinyl-6-azatricyclo[7.3.1.02,7]tridéca-2(7),3,10-triène-11-carboxylique [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL519659/
LYCOPARIN A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 589.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 96.1±6.0 kJ/mol
Flash Point: 310.5±30.1 °C
Index of Refraction: 1.624
Molar Refractivity: 82.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.05
ACD/LogD (pH 5.5): -1.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 234.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement