ChemSpider 2D Image | (5aR,7R,8S,8aR,14aR,14bS)-7,8-Dimethyl-5a,6,7,8,8a,14b-hexahydro-5H-benzo[kl]bis[1,3]dioxolo[4,5-b:4',5'-g]xanthen-5-one | C20H20O6

(5aR,7R,8S,8aR,14aR,14bS)-7,8-Dimethyl-5a,6,7,8,8a,14b-hexahydro-5H-benzo[kl]bis[1,3]dioxolo[4,5-b:4',5'-g]xanthen-5-one

  • Molecular FormulaC20H20O6
  • Average mass356.369 Da
  • Monoisotopic mass356.125977 Da
  • ChemSpider ID114392186

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5aR,7R,8S,8aR,14aR,14bS)-7,8-Dimethyl-5a,6,7,8,8a,14b-hexahydro-5H-benzo[kl]bis[1,3]dioxolo[4,5-b:4',5'-g]xanthen-5-on [German] [ACD/IUPAC Name]
(5aR,7R,8S,8aR,14aR,14bS)-7,8-Dimethyl-5a,6,7,8,8a,14b-hexahydro-5H-benzo[kl]bis[1,3]dioxolo[4,5-b:4',5'-g]xanthen-5-one [ACD/IUPAC Name]
(5aR,7R,8S,8aR,14aR,14bS)-7,8-Diméthyl-5a,6,7,8,8a,14b-hexahydro-5H-benzo[kl]bis[1,3]dioxolo[4,5-b:4',5'-g]xanthén-5-one [French] [ACD/IUPAC Name]
5H-Benzo[kl][1,3]dioxolo[4,5-b]-1,3-dioxolo[4,5-g]xanthen-5-one, 5a,6,7,8,8a,14b-hexahydro-7,8-dimethyl-, (5aR,7R,8S,8aR,14aR,14bS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 498.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 220.3±28.8 °C
Index of Refraction: 1.643
Molar Refractivity: 89.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 380.32
ACD/KOC (pH 5.5): 2446.10
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 380.32
ACD/KOC (pH 7.4): 2446.10
Polar Surface Area: 63 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 248.1±5.0 cm3

Click to predict properties on the Chemicalize site


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