Found 1 result

Search term: 28284678 (Found by CSID)
ChemSpider 2D Image | (3R,4aR,10S,10aS)-3,10-Dihydroxy-7,9-dimethoxy-3-methyl-4,4a,10,10a-tetrahydro-1H-benzo[g]isochromen-5(3H)-one | C16H20O6

(3R,4aR,10S,10aS)-3,10-Dihydroxy-7,9-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 ID28284678

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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(3R,4aR,10S,10aS)-3,10-Dihydroxy-7,9-dimethoxy-3-methyl-4,4a,10,10a-tetrahydro-1H-benzo[g]isochromen-5(3H)-on [German] [ACD/IUPAC Name]
(3R,4aR,10S,10aS)-3,10-Dihydroxy-7,9-dimethoxy-3-methyl-4,4a,10,10a-tetrahydro-1H-benzo[g]isochromen-5(3H)-one [ACD/IUPAC Name]
(3R,4aR,10S,10aS)-3,10-Dihydroxy-7,9-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-3,10-dihydroxy-7,9-dimethoxy-3-methyl-, (3R,4aR,10S,10aS)- [ACD/Index Name]
corynesporol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 532.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 198.0±23.6 °C
Index of Refraction: 1.573
Molar Refractivity: 77.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.87
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 4.11
ACD/KOC (pH 5.5): 95.75
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.11
ACD/KOC (pH 7.4): 95.75
Polar Surface Area: 85 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 236.2±3.0 cm3

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