ChemSpider 2D Image | 1a-(3,4-Dihydroxyphenyl)-7a-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-4,6-dihydroxy-1a,7a-dihydro-7H-oxireno[b]chromen-7-one | C30H18O14

1a-(3,4-Dihydroxyphenyl)-7a-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-4,6-dihydroxy-1a,7a-dihydro-7H-oxireno[b]chromen-7-one

  • Molecular FormulaC30H18O14
  • Average mass602.456 Da
  • Monoisotopic mass602.069641 Da
  • ChemSpider ID9846355

More details:

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

1a-(3,4-Dihydroxyphenyl)-7a-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-4,6-dihydroxy-1a,7a-dihydro-7H-oxireno[b]chromen-7-on [German] [ACD/IUPAC Name]
1a-(3,4-Dihydroxyphenyl)-7a-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-4,6-dihydroxy-1a,7a-dihydro-7H-oxireno[b]chromen-7-one [ACD/IUPAC Name]
1a-(3,4-Dihydroxyphényl)-7a-[2-(3,4-dihydroxyphényl)-3,5,7-trihydroxy-4-oxo-4H-chromén-8-yl]-4,6-dihydroxy-1a,7a-dihydro-7H-oxiréno[b]chromén-7-one [French] [ACD/IUPAC Name]
7H-Oxireno[b][1]benzopyran-7-one, 1a-(3,4-dihydroxyphenyl)-7a-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-8-yl]-1a,7a-dihydro-4,6-dihydroxy- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1037.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.0±3.0 kJ/mol
Flash Point: 347.0±27.8 °C
Index of Refraction: 1.916
Molar Refractivity: 143.1±0.3 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 57.24
ACD/KOC (pH 5.5): 475.68
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 247 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 145.3±3.0 dyne/cm
Molar Volume: 303.7±3.0 cm3

Click to predict properties on the Chemicalize site


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