Found 1 result

Search term: 76824064 (Found by CSID)
ChemSpider 2D Image | (3S,4aS,10R,10aR)-9,10-Dihydroxy-3,7-dimethoxy-3-methyl-4,4a,10,10a-tetrahydro-1H-benzo[g]isochromen-5(3H)-one | C16H20O6

(3S,4aS,10R,10aR)-9,10-Dihydroxy-3,7-dimethoxy-3-methyl-4,4a,10,10a-tetrahydro-1H-benzo[g]isochromen-5(3H)-one

  • Molecular FormulaC16H20O6
  • Average mass308.326 Da
  • Monoisotopic mass308.125977 Da
  • ChemSpider ID76824064

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,4aS,10R,10aR)-9,10-Dihydroxy-3,7-dimethoxy-3-methyl-4,4a,10,10a-tetrahydro-1H-benzo[g]isochromen-5(3H)-on [German] [ACD/IUPAC Name]
(3S,4aS,10R,10aR)-9,10-Dihydroxy-3,7-dimethoxy-3-methyl-4,4a,10,10a-tetrahydro-1H-benzo[g]isochromen-5(3H)-one [ACD/IUPAC Name]
(3S,4aS,10R,10aR)-9,10-Dihydroxy-3,7-diméthoxy-3-méthyl-4,4a,10,10a-tétrahydro-1H-benzo[g]isochromén-5(3H)-one [French] [ACD/IUPAC Name]
1H-Naphtho[2,3-c]pyran-5(3H)-one, 4,4a,10,10a-tetrahydro-9,10-dihydroxy-3,7-dimethoxy-3-methyl-, (3S,4aS,10R,10aR)- [ACD/Index Name]
Biatriosporin H

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

Density: 1.4±0.1 g/cm3
Boiling Point: 481.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 177.0±22.2 °C
Index of Refraction: 1.594
Molar Refractivity: 77.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.77
ACD/KOC (pH 5.5): 150.96
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 7.30
ACD/KOC (pH 7.4): 141.84
Polar Surface Area: 85 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 227.8±5.0 cm3

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