ChemSpider 2D Image | Ethyl (1R,5S,6S,7S)-4-oxo-3-(tetrahydro-2-furanylmethyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylate | C16H21NO5

Ethyl (1R,5S,6S,7S)-4-oxo-3-(tetrahydro-2-furanylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate

  • Molecular FormulaC16H21NO5
  • Average mass307.342 Da
  • Monoisotopic mass307.141968 Da
  • ChemSpider ID113598391

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(1R,5S,6S,7S)-4-Oxo-3-(tétrahydro-2-furanylméthyl)-10-oxa-3-azatricyclo[5.2.1.01,5]déc-8-ène-6-carboxylate d'éthyle [French] [ACD/IUPAC Name]
3a,6-Epoxy-3aH-isoindole-7-carboxylic acid, 1,2,3,6,7,7a-hexahydro-1-oxo-2-[(tetrahydro-2-furanyl)methyl]-, ethyl ester, (3aR,6S,7S,7aS)- [ACD/Index Name]
Ethyl (1R,5S,6S,7S)-4-oxo-3-(tetrahydro-2-furanylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate [ACD/IUPAC Name]
Ethyl-(1R,5S,6S,7S)-4-oxo-3-(tetrahydro-2-furanylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-6-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 478.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 243.0±28.7 °C
Index of Refraction: 1.578
Molar Refractivity: 77.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 3.94
ACD/KOC (pH 5.5): 92.96
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 3.94
ACD/KOC (pH 7.4): 92.96
Polar Surface Area: 65 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 232.3±5.0 cm3

Click to predict properties on the Chemicalize site


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