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Search term: 78438593 (Found by CSID)
ChemSpider 2D Image | 11-Hydroxy-3-[(2R,3R)-3-isopropenyl-2-oxiranyl]-4-methoxy-9-methyl-5H,7H-dibenzo[b,g][1,5]dioxocin-5-one | C21H20O6

11-Hydroxy-3-[(2R,3R)-3-isopropenyl-2-oxiranyl]-4-methoxy-9-methyl-5H,7H-dibenzo[b,g][1,5]dioxocin-5-one

  • Molecular FormulaC21H20O6
  • Average mass368.380 Da
  • Monoisotopic mass368.125977 Da
  • ChemSpider ID78438593

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

11-Hydroxy-3-[(2R,3R)-3-isopropenyl-2-oxiranyl]-4-methoxy-9-methyl-5H,7H-dibenzo[b,g][1,5]dioxocin-5-on [German] [ACD/IUPAC Name]
11-Hydroxy-3-[(2R,3R)-3-isopropenyl-2-oxiranyl]-4-methoxy-9-methyl-5H,7H-dibenzo[b,g][1,5]dioxocin-5-one [ACD/IUPAC Name]
11-Hydroxy-3-[(2R,3R)-3-isopropényl-2-oxiranyl]-4-méthoxy-9-méthyl-5H,7H-dibenzo[b,g][1,5]dioxocin-5-one [French] [ACD/IUPAC Name]
5H,7H-Dibenzo[b,g][1,5]dioxocin-5-one, 11-hydroxy-4-methoxy-9-methyl-3-[(2R,3R)-3-(1-methylethenyl)oxiranyl]- [ACD/Index Name]
1′,2′-epoxy-3′,4′-didehydro-penicillide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 615.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 221.2±25.0 °C
Index of Refraction: 1.604
Molar Refractivity: 97.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.24
ACD/KOC (pH 5.5): 941.53
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 93.96
ACD/KOC (pH 7.4): 882.62
Polar Surface Area: 78 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 283.4±3.0 cm3

Click to predict properties on the Chemicalize site


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