ChemSpider 2D Image | 3-[(1S)-1,3-Dihydroxy-3-methylbutyl]-11-hydroxy-4-methoxy-9-methyl-5H,7H-dibenzo[b,g][1,5]dioxocin-5-one | C21H24O7

3-[(1S)-1,3-Dihydroxy-3-methylbutyl]-11-hydroxy-4-methoxy-9-methyl-5H,7H-dibenzo[b,g][1,5]dioxocin-5-one

  • Molecular FormulaC21H24O7
  • Average mass388.411 Da
  • Monoisotopic mass388.152191 Da
  • ChemSpider ID40256571

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[(1S)-1,3-Dihydroxy-3-methylbutyl]-11-hydroxy-4-methoxy-9-methyl-5H,7H-dibenzo[b,g][1,5]dioxocin-5-on [German] [ACD/IUPAC Name]
3-[(1S)-1,3-Dihydroxy-3-methylbutyl]-11-hydroxy-4-methoxy-9-methyl-5H,7H-dibenzo[b,g][1,5]dioxocin-5-one [ACD/IUPAC Name]
3-[(1S)-1,3-Dihydroxy-3-méthylbutyl]-11-hydroxy-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, 3-[(1S)-1,3-dihydroxy-3-methylbutyl]-11-hydroxy-4-methoxy-9-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 652.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 230.8±25.0 °C
Index of Refraction: 1.600
Molar Refractivity: 101.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.65
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.24
ACD/KOC (pH 5.5): 232.94
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.40
ACD/KOC (pH 7.4): 219.10
Polar Surface Area: 105 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 297.0±3.0 cm3

Click to predict properties on the Chemicalize site


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