ChemSpider 2D Image | (3aS,4R,6aS,7R,10R,10aR)-8-Hydroxy-4-methyl-7-(~2~H_3_)methyloctahydro-2H-furo[3,2-i]isochromen-10-yl acetate | C15H21D3O5

(3aS,4R,6aS,7R,10R,10aR)-8-Hydroxy-4-methyl-7-(2H3)methyloctahydro-2H-furo[3,2-i]isochromen-10-yl acetate

  • Molecular FormulaC15H21D3O5
  • Average mass287.366 Da
  • Monoisotopic mass287.181213 Da
  • ChemSpider ID58784167

  • defined stereocentres - 6 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3aS,4R,6aS,7R,10R,10aR)-8-Hydroxy-4-methyl-7-(2H3)methyloctahydro-2H-furo[3,2-i]isochromen-10-yl acetate [ACD/IUPAC Name]
(3aS,4R,6aS,7R,10R,10aR)-8-Hydroxy-4-methyl-7-(2H3)methyloctahydro-2H-furo[3,2-i]isochromen-10-yl-acetat [German] [ACD/IUPAC Name]
2H,10H-Furo[3,2-i][2]benzopyran-8,10-diol, octahydro-4-methyl-7-(methyl-d3)-, 10-acetate, (3aS,4R,6aS,7R,10R,10aR)- [ACD/Index Name]
Acétate de (3aS,4R,6aS,7R,10R,10aR)-8-hydroxy-4-méthyl-7-(2H3)méthyloctahydro-2H-furo[3,2-i]isochromén-10-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 402.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.5±6.0 kJ/mol
Flash Point: 144.2±22.2 °C
Index of Refraction: 1.521
Molar Refractivity: 72.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.37
ACD/KOC (pH 5.5): 198.31
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.37
ACD/KOC (pH 7.4): 198.30
Polar Surface Area: 65 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 236.8±5.0 cm3

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