ChemSpider 2D Image | (6S,6aS,8S,10R,10aS)-6-Ethyl-2-hydroxy-6a,8,10-trimethyl-2,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[4,3-c]pyridin-1-one | C17H25NO3

(6S,6aS,8S,10R,10aS)-6-Ethyl-2-hydroxy-6a,8,10-trimethyl-2,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[4,3-c]pyridin-1-one

  • Molecular FormulaC17H25NO3
  • Average mass291.385 Da
  • Monoisotopic mass291.183441 Da
  • ChemSpider ID23339700

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6S,6aS,8S,10R,10aS)-6-Ethyl-2-hydroxy-6a,8,10-trimethyl-2,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[4,3-c]pyridin-1-on [German] [ACD/IUPAC Name]
(6S,6aS,8S,10R,10aS)-6-Ethyl-2-hydroxy-6a,8,10-trimethyl-2,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[4,3-c]pyridin-1-one [ACD/IUPAC Name]
(6S,6aS,8S,10R,10aS)-6-Éthyl-2-hydroxy-6a,8,10-triméthyl-2,6,6a,7,8,9,10,10a-octahydro-1H-isochroméno[4,3-c]pyridin-1-one [French] [ACD/IUPAC Name]
1H-[2]Benzopyrano[4,3-c]pyridin-1-one, 6-ethyl-2,6,6a,7,8,9,10,10a-octahydro-2-hydroxy-6a,8,10-trimethyl-, (6S,6aS,8S,10R,10aS)- [ACD/Index Name]
fusaricide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL460766/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 400.7±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.3±6.0 kJ/mol
Flash Point: 196.1±29.6 °C
Index of Refraction: 1.567
Molar Refractivity: 81.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 167.55
ACD/KOC (pH 5.5): 1360.16
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 161.65
ACD/KOC (pH 7.4): 1312.31
Polar Surface Area: 50 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 248.6±5.0 cm3

Click to predict properties on the Chemicalize site


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