ChemSpider 2D Image | 5,7-Dihydroxy-8'-(4-hydroxy-3-methylbutyl)-3,6-dimethoxy-2',2'-dimethyl-2'H,4H-2,6'-bichromen-4-one | C27H30O8

5,7-Dihydroxy-8'-(4-hydroxy-3-methylbutyl)-3,6-dimethoxy-2',2'-dimethyl-2'H,4H-2,6'-bichromen-4-one

  • Molecular FormulaC27H30O8
  • Average mass482.522 Da
  • Monoisotopic mass482.194061 Da
  • ChemSpider ID62782737

More details:

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

4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-[8-(4-hydroxy-3-methylbutyl)-2,2-dimethyl-2H-1-benzopyran-6-yl]-3,6-dimethoxy- [ACD/Index Name]
5,7-Dihydroxy-8'-(4-hydroxy-3-methylbutyl)-3,6-dimethoxy-2',2'-dimethyl-2'H,4H-2,6'-bichromen-4-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-8'-(4-hydroxy-3-methylbutyl)-3,6-dimethoxy-2',2'-dimethyl-2'H,4H-2,6'-bichromen-4-one [ACD/IUPAC Name]
5,7-Dihydroxy-8'-(4-hydroxy-3-méthylbutyl)-3,6-diméthoxy-2',2'-diméthyl-2'H,4H-2,6'-bichromén-4-one [French] [ACD/IUPAC Name]
1616683-52-3 [RN]
Dodovisone C

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

Density: 1.4±0.1 g/cm3
Boiling Point: 730.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 245.4±26.4 °C
Index of Refraction: 1.642
Molar Refractivity: 127.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 406.71
ACD/KOC (pH 5.5): 2419.46
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 18.17
ACD/KOC (pH 7.4): 108.08
Polar Surface Area: 115 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 353.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement