ChemSpider 2D Image | (1R,9R,13R)-1-(Methylamino)-5-oxo-13-vinyl-6-azatricyclo[7.3.1.0~2,7~]trideca-2(7),3,10-triene-11-carboxylic acid | C16H18N2O3

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

  • Molecular FormulaC16H18N2O3
  • Average mass286.326 Da
  • Monoisotopic mass286.131744 Da
  • ChemSpider ID24701394
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1R,9R,13R)-1-(Methylamino)-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-(Methylamino)-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, 11-ethenyl-1,2,5,6,9,10-hexahydro-5-(methylamino)-2-oxo-, (5R,9R,11R)- [ACD/Index Name]
Acide (1R,9R,13R)-1-(méthylamino)-5-oxo-13-vinyl-6-azatricyclo[7.3.1.02,7]tridéca-2(7),3,10-triène-11-carboxylique [French] [ACD/IUPAC Name]
LYCOPARIN B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 603.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 98.0±6.0 kJ/mol
Flash Point: 318.7±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 77.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.15
ACD/LogD (pH 5.5): -1.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 219.1±5.0 cm3

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