ChemSpider 2D Image | (3R)-5,5',7-Trihydroxy-2',2'-dimethyl-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-2'H,4H-3,6'-bichromen-4-one | C25H26O6

(3R)-5,5',7-Trihydroxy-2',2'-dimethyl-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-2'H,4H-3,6'-bichromen-4-one

  • Molecular FormulaC25H26O6
  • Average mass422.470 Da
  • Monoisotopic mass422.172943 Da
  • ChemSpider ID76803133

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-5,5',7-Trihydroxy-2',2'-dimethyl-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-2'H,4H-3,6'-bichromen-4-on [German] [ACD/IUPAC Name]
(3R)-5,5',7-Trihydroxy-2',2'-dimethyl-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-2'H,4H-3,6'-bichromen-4-one [ACD/IUPAC Name]
(3R)-5,5',7-Trihydroxy-2',2'-diméthyl-6-(3-méthyl-2-butén-1-yl)-2,3-dihydro-2'H,4H-3,6'-bichromén-4-one [French] [ACD/IUPAC Name]
[3,6'-Bi-2H-1-benzopyran]-4(3H)-one, 5,5',7-trihydroxy-2',2'-dimethyl-6-(3-methyl-2-buten-1-yl)-, (3R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 600.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 204.3±25.0 °C
Index of Refraction: 1.626
Molar Refractivity: 116.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.60
ACD/LogD (pH 5.5): 6.41
ACD/BCF (pH 5.5): 43855.26
ACD/KOC (pH 5.5): 73047.28
ACD/LogD (pH 7.4): 6.24
ACD/BCF (pH 7.4): 29550.82
ACD/KOC (pH 7.4): 49221.18
Polar Surface Area: 96 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 328.6±3.0 cm3

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