ChemSpider 2D Image | (1aR,2S,5S,6R,7R,7aS)-5-Methyl-1a-(3-methyl-2-buten-1-yl)-1a,3,5,6,7,7a-hexahydro-2H-oxireno[g]isochromene-2,6,7-triol | C15H22O5

(1aR,2S,5S,6R,7R,7aS)-5-Methyl-1a-(3-methyl-2-buten-1-yl)-1a,3,5,6,7,7a-hexahydro-2H-oxireno[g]isochromene-2,6,7-triol

  • Molecular FormulaC15H22O5
  • Average mass282.332 Da
  • Monoisotopic mass282.146729 Da
  • ChemSpider ID21435597

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1aR,2S,5S,6R,7R,7aS)-5-Methyl-1a-(3-methyl-2-buten-1-yl)-1a,3,5,6,7,7a-hexahydro-2H-oxireno[g]isochromen-2,6,7-triol [German] [ACD/IUPAC Name]
(1aR,2S,5S,6R,7R,7aS)-5-Methyl-1a-(3-methyl-2-buten-1-yl)-1a,3,5,6,7,7a-hexahydro-2H-oxireno[g]isochromene-2,6,7-triol [ACD/IUPAC Name]
(1aR,2S,5S,6R,7R,7aS)-5-Méthyl-1a-(3-méthyl-2-butén-1-yl)-1a,3,5,6,7,7a-hexahydro-2H-oxiréno[g]isochromène-2,6,7-triol [French] [ACD/IUPAC Name]
2H-Oxireno[g][2]benzopyran-2,6,7-triol, 1a,3,5,6,7,7a-hexahydro-5-methyl-1a-(3-methyl-2-buten-1-yl)-, (1aR,2S,5S,6R,7R,7aS)- [ACD/Index Name]
Bisbynin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 496.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.0±6.0 kJ/mol
Flash Point: 254.0±28.7 °C
Index of Refraction: 1.592
Molar Refractivity: 72.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.29
ACD/KOC (pH 5.5): 233.56
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.29
ACD/KOC (pH 7.4): 233.56
Polar Surface Area: 82 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 214.1±5.0 cm3

Click to predict properties on the Chemicalize site


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