ChemSpider 2D Image | (1S,5S,7R)-3-(1-Naphthyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid | C19H15NO4

(1S,5S,7R)-3-(1-Naphthyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid

  • Molecular FormulaC19H15NO4
  • Average mass321.327 Da
  • Monoisotopic mass321.100098 Da
  • ChemSpider ID110822796

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1S,5S,7R)-3-(1-Naphthyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-6-carbonsäure [German] [ACD/IUPAC Name]
(1S,5S,7R)-3-(1-Naphthyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid [ACD/IUPAC Name]
3a,6-Epoxy-3aH-isoindole-7-carboxylic acid, 1,2,3,6,7,7a-hexahydro-2-(1-naphthalenyl)-1-oxo-, (3aS,6R,7aS)- [ACD/Index Name]
Acide (1S,5S,7R)-3-(1-naphtyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]déc-8-ène-6-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 669.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 358.9±31.5 °C
Index of Refraction: 1.747
Molar Refractivity: 87.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.15
ACD/KOC (pH 5.5): 15.87
ACD/LogD (pH 7.4): -0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 75.8±5.0 dyne/cm
Molar Volume: 214.4±5.0 cm3

Click to predict properties on the Chemicalize site


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