ChemSpider 2D Image | demethylkotanin | C23H20O8

demethylkotanin

  • Molecular FormulaC23H20O8
  • Average mass424.400 Da
  • Monoisotopic mass424.115814 Da
  • ChemSpider ID23327155

More details:

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

[8,8'-Bi-2H-1-benzopyran]-2,2'-dione, 7-hydroxy-4,4',7'-trimethoxy-5,5'-dimethyl- [ACD/Index Name]
27909-10-0 [RN]
7-Hydroxy-4,4',7'-trimethoxy-5,5'-dimethyl-2H,2'H-8,8'-bichromen-2,2'-dion [German] [ACD/IUPAC Name]
7-Hydroxy-4,4',7'-trimethoxy-5,5'-dimethyl-2H,2'H-8,8'-bichromene-2,2'-dione [ACD/IUPAC Name]
7-Hydroxy-4,4',7'-triméthoxy-5,5'-diméthyl-2H,2'H-8,8'-bichromène-2,2'-dione [French] [ACD/IUPAC Name]
demethylkotanin
8-(4,7-dimethoxy-5-methyl-2-oxochromen-8-yl)-7-hydroxy-4-methoxy-5-methylchromen-2-one
Compound NP-007157
desmethylkotanin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL518901/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 690.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 243.2±25.0 °C
Index of Refraction: 1.650
Molar Refractivity: 108.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 205.54
ACD/KOC (pH 5.5): 1554.71
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 46.41
ACD/KOC (pH 7.4): 351.03
Polar Surface Area: 101 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 296.3±5.0 cm3

Click to predict properties on the Chemicalize site


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