ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-8-[1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]-3,5,7-chromanetriol | C30H28O12

2-(3,4-Dihydroxyphenyl)-8-[1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]-3,5,7-chromanetriol

  • Molecular FormulaC30H28O12
  • Average mass580.536 Da
  • Monoisotopic mass580.158081 Da
  • ChemSpider ID35014551

More details:

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

2-(3,4-Dihydroxyphenyl)-8-[1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]-3,5,7-chromanetriol [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-8-[1-(3,4-dihydroxyphényl)-2-hydroxy-3-(2,4,6-trihydroxyphényl)propyl]-3,5,7-chromanetriol [French] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-8-[1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]-3,5,7-chromantriol [German] [ACD/IUPAC Name]
2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-8-[1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]-3,4-dihydro- [ACD/Index Name]
2-(3,4-dihydroxyphenyl)-8-[1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Gambiriin A1

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

Density: 1.7±0.1 g/cm3
Boiling Point: 957.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.0±3.0 kJ/mol
Flash Point: 532.8±34.3 °C
Index of Refraction: 1.797
Molar Refractivity: 147.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 11
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.57
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.91
ACD/KOC (pH 5.5): 55.27
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.89
ACD/KOC (pH 7.4): 54.72
Polar Surface Area: 232 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 105.4±3.0 dyne/cm
Molar Volume: 346.1±3.0 cm3

Click to predict properties on the Chemicalize site


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