ChemSpider 2D Image | 3',4',5,7-Tetrahydroxy-2',2'-dimethyl-8'-[(3-methyl-2-buten-1-yl)oxy]-2,3,3',4'-tetrahydro-2'H,4H-2,6'-bichromen-4-one | C25H28O8

3',4',5,7-Tetrahydroxy-2',2'-dimethyl-8'-[(3-methyl-2-buten-1-yl)oxy]-2,3,3',4'-tetrahydro-2'H,4H-2,6'-bichromen-4-one

  • Molecular FormulaC25H28O8
  • Average mass456.485 Da
  • Monoisotopic mass456.178406 Da
  • ChemSpider ID22370324

More details:

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[2,6'-Bi-2H-1-benzopyran]-4(3H)-one, 3',4'-dihydro-3',4',5,7-tetrahydroxy-2',2'-dimethyl-8'-[(3-methyl-2-buten-1-yl)oxy]- [ACD/Index Name]
3',4',5,7-Tetrahydroxy-2',2'-dimethyl-8'-[(3-methyl-2-buten-1-yl)oxy]-2,3,3',4'-tetrahydro-2'H,4H-2,6'-bichromen-4-on [German] [ACD/IUPAC Name]
3',4',5,7-Tetrahydroxy-2',2'-dimethyl-8'-[(3-methyl-2-buten-1-yl)oxy]-2,3,3',4'-tetrahydro-2'H,4H-2,6'-bichromen-4-one [ACD/IUPAC Name]
3',4',5,7-Tétrahydroxy-2',2'-diméthyl-8'-[(3-méthyl-2-butén-1-yl)oxy]-2,3,3',4'-tétrahydro-2'H,4H-2,6'-bichromén-4-one [French] [ACD/IUPAC Name]
sigmoidin M

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

Density: 1.3±0.1 g/cm3
Boiling Point: 664.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 225.8±25.0 °C
Index of Refraction: 1.625
Molar Refractivity: 119.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 584.09
ACD/KOC (pH 5.5): 3307.65
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 230.63
ACD/KOC (pH 7.4): 1306.05
Polar Surface Area: 126 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 338.6±3.0 cm3

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