ChemSpider 2D Image | 3',5,7-Trihydroxy-8'-(4-hydroxy-3-methylbutyl)-3,6-dimethoxy-2',2'-dimethyl-3',4'-dihydro-2'H,4H-2,6'-bichromen-4-one | C27H32O9

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

  • Molecular FormulaC27H32O9
  • Average mass500.538 Da
  • Monoisotopic mass500.204620 Da
  • ChemSpider ID62782736

More details:






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

[2,6'-Bi-4H-1-benzopyran]-4-one, 2',3'-dihydro-3',5,7-trihydroxy-8'-(4-hydroxy-3-methylbutyl)-3,6-dimethoxy-2',2'-dimethyl- [ACD/Index Name]
3',5,7-Trihydroxy-8'-(4-hydroxy-3-methylbutyl)-3,6-dimethoxy-2',2'-dimethyl-3',4'-dihydro-2'H,4H-2,6'-bichromen-4-on [German] [ACD/IUPAC Name]
3',5,7-Trihydroxy-8'-(4-hydroxy-3-methylbutyl)-3,6-dimethoxy-2',2'-dimethyl-3',4'-dihydro-2'H,4H-2,6'-bichromen-4-one [ACD/IUPAC Name]
3',5,7-Trihydroxy-8'-(4-hydroxy-3-méthylbutyl)-3,6-diméthoxy-2',2'-diméthyl-3',4'-dihydro-2'H,4H-2,6'-bichromén-4-one [French] [ACD/IUPAC Name]
1616683-51-2 [RN]
Dodovisone B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 757.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 253.5±26.4 °C
Index of Refraction: 1.642
Molar Refractivity: 129.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 128.38
ACD/KOC (pH 5.5): 1060.55
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 5.80
ACD/KOC (pH 7.4): 47.93
Polar Surface Area: 135 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 69.3±5.0 dyne/cm
Molar Volume: 358.4±5.0 cm3

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