Found 12 results

Search term: KFWIQRFOCDYDRG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,7S)-3-{[(1S,5R)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid | C19H23NO4

(1R,7S)-3-{[(1S,5R)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid

  • Molecular FormulaC19H23NO4
  • Average mass329.390 Da
  • Monoisotopic mass329.162720 Da
  • ChemSpider ID110092424

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(1R,7S)-3-{[(1S,5R)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-6-carbonsäure [German] [ACD/IUPAC Name]
(1R,7S)-3-{[(1S,5R)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-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, 2-[[(1S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl]-1,2,3,6,7,7a-hexahydro-1-oxo-, (3aR,6S)- [ACD/Index Name]
Acide (1R,7S)-3-{[(1S,5R)-6,6-diméthylbicyclo[3.1.1]hept-2-én-2-yl]méthyl}-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: 1.4±0.1 g/cm3
Boiling Point: 542.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 89.8±6.0 kJ/mol
Flash Point: 282.1±30.1 °C
Index of Refraction: 1.637
Molar Refractivity: 86.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 6.65
ACD/KOC (pH 5.5): 58.04
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 241.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement