ChemSpider 2D Image | (4aR,9bS)-2,6-diacetyl-3,7,9-trihydroxy-4a-methoxy-8,9b-dimethyl-4H-dibenzofuran-1-one | C19H20O8

(4aR,9bS)-2,6-diacetyl-3,7,9-trihydroxy-4a-methoxy-8,9b-dimethyl-4H-dibenzofuran-1-one

  • Molecular FormulaC19H20O8
  • Average mass376.357 Da
  • Monoisotopic mass376.115814 Da
  • ChemSpider ID97091892

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,9bS)-2,6-Diacetyl-3,7,9-trihydroxy-4a-methoxy-8,9b-dimethyl-4a,9b-dihydrodibenzo[b,d]furan-1(4H)-on [German] [ACD/IUPAC Name]
(4aR,9bS)-2,6-Diacétyl-3,7,9-trihydroxy-4a-méthoxy-8,9b-diméthyl-4a,9b-dihydrodibenzo[b,d]furan-1(4H)-one [French] [ACD/IUPAC Name]
77480-55-8 [RN]
(-)-Mycousnine
(4aR,9bS)-2,6-diacetyl-1,7,9-trihydroxy-4a-methoxy-8,9b-dimethyl-4H-dibenzofuran-3-one
(4aR,9bS)-2,6-diacetyl-4a,9b-dihydro-3,7,9-trihydroxy-4a-methoxy-8,9b-dimethyl-1(4H)-dibenzofuranone
Mycousnine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 629.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 227.2±25.0 °C
Index of Refraction: 1.639
Molar Refractivity: 90.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 2.53
ACD/KOC (pH 5.5): 33.13
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 72.8±5.0 dyne/cm
Molar Volume: 252.1±5.0 cm3

Click to predict properties on the Chemicalize site


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