ChemSpider 2D Image | 3,4,7-Trihydroxy-6-(hydroxymethyl)-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-8-carboxylic acid | C17H14O9

3,4,7-Trihydroxy-6-(hydroxymethyl)-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-8-carboxylic acid

  • Molecular FormulaC17H14O9
  • Average mass362.288 Da
  • Monoisotopic mass362.063782 Da
  • ChemSpider ID78435998

More details:

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

11H-Dibenzo[b,e][1,4]dioxepin-8-carboxylic acid, 3,4,7-trihydroxy-6-(hydroxymethyl)-1,9-dimethyl-11-oxo- [ACD/Index Name]
3,4,7-Trihydroxy-6-(hydroxymethyl)-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-8-carbonsäure [German] [ACD/IUPAC Name]
3,4,7-Trihydroxy-6-(hydroxymethyl)-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-8-carboxylic acid [ACD/IUPAC Name]
Acide 3,4,7-trihydroxy-6-(hydroxyméthyl)-1,9-diméthyl-11-oxo-11H-dibenzo[b,e][1,4]dioxépine-8-carboxylique [French] [ACD/IUPAC Name]
Parmosidone B

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

Density: 1.7±0.1 g/cm3
Boiling Point: 688.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 255.8±25.0 °C
Index of Refraction: 1.723
Molar Refractivity: 85.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 1.41
ACD/LogD (pH 5.5): -1.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 90.6±3.0 dyne/cm
Molar Volume: 216.6±3.0 cm3

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