ChemSpider 2D Image | 3,8,9-Trihydroxy-2-(3-hydroxy-3-methylbutyl)-1-methoxy-6H-[1]benzofuro[3,2-c]chromen-6-one | C21H20O8

3,8,9-Trihydroxy-2-(3-hydroxy-3-methylbutyl)-1-methoxy-6H-[1]benzofuro[3,2-c]chromen-6-one

  • Molecular FormulaC21H20O8
  • Average mass400.379 Da
  • Monoisotopic mass400.115814 Da
  • ChemSpider ID24701899

More details:

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

3,8,9-Trihydroxy-2-(3-hydroxy-3-methylbutyl)-1-methoxy-6H-[1]benzofuro[3,2-c]chromen-6-on [German] [ACD/IUPAC Name]
3,8,9-Trihydroxy-2-(3-hydroxy-3-methylbutyl)-1-methoxy-6H-[1]benzofuro[3,2-c]chromen-6-one [ACD/IUPAC Name]
3,8,9-Trihydroxy-2-(3-hydroxy-3-méthylbutyl)-1-méthoxy-6H-[1]benzofuro[3,2-c]chromén-6-one [French] [ACD/IUPAC Name]
6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,8,9-trihydroxy-2-(3-hydroxy-3-methylbutyl)-1-methoxy- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL486292/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 570.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 299.0±30.1 °C
Index of Refraction: 1.689
Molar Refractivity: 102.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 198.85
ACD/KOC (pH 5.5): 1535.45
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 137.34
ACD/KOC (pH 7.4): 1060.47
Polar Surface Area: 130 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 72.2±3.0 dyne/cm
Molar Volume: 269.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement