ChemSpider 2D Image | isoderrone | C20H16O5

isoderrone

  • Molecular FormulaC20H16O5
  • Average mass336.338 Da
  • Monoisotopic mass336.099762 Da
  • ChemSpider ID21125386

More details:

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

121747-89-5 [RN]
4H-1-Benzopyran-4-one, 3-(2,2-dimethyl-2H-1-benzopyran-6-yl)-5,7-dihydroxy- [ACD/Index Name]
5,7-Dihydroxy-2',2'-dimethyl-2'H,4H-3,6'-bichromen-4-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-2',2'-dimethyl-2'H,4H-3,6'-bichromen-4-one [ACD/IUPAC Name]
5,7-Dihydroxy-2',2'-diméthyl-2'H,4H-3,6'-bichromén-4-one [French] [ACD/IUPAC Name]
isoderrone
3-(2,2-dimethylchromen-7-yl)-5,7-dihydroxychromen-4-one
5,7-dihydroxy-2',2'-dimethyl-2'H,4H-[3,6'-bi-1-benzopyran]-4-one
5,7-dihydroxy-2',2'-dimethyl-2'H,4H-[3,6'-bichromen]-4-one
5,7-dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone
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  • Miscellaneous

    • Chemical Class:

      A hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5 and 7 and a 6,6-dimethyl-3,6-dihydro-2<element>H</element>-pyran across positions 3' and 4' respectively. It has be en isolated from <ital>Ficus mucuso</ital>. ChEBI CHEBI:69748
      A hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5 and 7 and a 6,6-dimethyl-3,6-dihydro-2H-pyran across positions 3' and 4' respectively. It has be; en isolated from Ficus mucuso. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:69748
      A hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5 and 7 and a 6,6-dimethyl-3,6-dihydro-2H-pyran across positions 3' and 4' respectively. It has been isolated from Fi cus mucuso. ChEBI CHEBI:69748

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

Density: 1.4±0.1 g/cm3
Boiling Point: 562.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 205.8±23.6 °C
Index of Refraction: 1.660
Molar Refractivity: 90.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 798.92
ACD/KOC (pH 5.5): 3993.13
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 53.24
ACD/KOC (pH 7.4): 266.08
Polar Surface Area: 76 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 245.7±3.0 cm3

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