ChemSpider 2D Image | 8,8''-bi-6-hydroxyorobol | C30H18O14

8,8''-bi-6-hydroxyorobol

  • Molecular FormulaC30H18O14
  • Average mass602.456 Da
  • Monoisotopic mass602.069641 Da
  • ChemSpider ID28536092

More details:

Featured data source
Natural Product Updates

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

[8,8'-Bi-4H-1-benzopyran]-4,4'-dione, 3,3'-bis(3,4-dihydroxyphenyl)-5,5',6,6',7,7'-hexahydroxy- [ACD/Index Name]
3,3'-Bis(3,4-dihydroxyphenyl)-5,5',6,6',7,7'-hexahydroxy-4H,4'H-8,8'-bichromen-4,4'-dion [German] [ACD/IUPAC Name]
3,3'-Bis(3,4-dihydroxyphenyl)-5,5',6,6',7,7'-hexahydroxy-4H,4'H-8,8'-bichromene-4,4'-dione [ACD/IUPAC Name]
3,3'-Bis(3,4-dihydroxyphényl)-5,5',6,6',7,7'-hexahydroxy-4H,4'H-8,8'-bichromène-4,4'-dione [French] [ACD/IUPAC Name]
8,8''-bi-6-hydroxyorobol

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1117.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 170.1±3.0 kJ/mol
Flash Point: 371.0±27.8 °C
Index of Refraction: 1.877
Molar Refractivity: 145.6±0.3 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 25.09
ACD/KOC (pH 5.5): 226.68
ACD/LogD (pH 7.4): -2.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 255 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 127.2±3.0 dyne/cm
Molar Volume: 318.7±3.0 cm3

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