ChemSpider 2D Image | 4-(5,9-Dihydroxy-8-methoxy-2,2-dimethyl-6-oxo-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-7-yl)-2-methyl-2-butanyl formate | C25H28O8

4-(5,9-Dihydroxy-8-methoxy-2,2-dimethyl-6-oxo-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-7-yl)-2-methyl-2-butanyl formate

  • Molecular FormulaC25H28O8
  • Average mass456.485 Da
  • Monoisotopic mass456.178406 Da
  • ChemSpider ID26342773

More details:

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

2H,6H-Pyrano[3,2-b]xanthen-6-one, 7-[3-(formyloxy)-3-methylbutyl]-3,4-dihydro-5,9-dihydroxy-8-methoxy-2,2-dimethyl- [ACD/Index Name]
4-(5,9-Dihydroxy-8-methoxy-2,2-dimethyl-6-oxo-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-7-yl)-2-methyl-2-butanyl formate [ACD/IUPAC Name]
4-(5,9-Dihydroxy-8-methoxy-2,2-dimethyl-6-oxo-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-7-yl)-2-methyl-2-butanylformiat [German] [ACD/IUPAC Name]
Formiate de 4-(5,9-dihydroxy-8-méthoxy-2,2-diméthyl-6-oxo-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthén-7-yl)-2-méthyl-2-butanyle [French] [ACD/IUPAC Name]
[4-(5,9-Dihydroxy-8-methoxy-2,2-dimethyl-6-oxo-3,4-dihydrochromeno[7,6-b]chromen-7-yl)-2-methylbutan-2-yl] formate
925705-36-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 642.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 217.2±25.0 °C
Index of Refraction: 1.589
Molar Refractivity: 119.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2645.10
ACD/KOC (pH 5.5): 9660.21
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 373.95
ACD/KOC (pH 7.4): 1365.70
Polar Surface Area: 112 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 353.3±3.0 cm3

Click to predict properties on the Chemicalize site


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