ChemSpider 2D Image | Robinetinidol | C15H14O6

Robinetinidol

  • Molecular FormulaC15H14O6
  • Average mass290.268 Da
  • Monoisotopic mass290.079041 Da
  • ChemSpider ID24842500
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1,2,3-Benzenetriol, 5-[(2R,3S)-3,4-dihydro-3,7-dihydroxy-2H-1-benzopyran-2-yl]- [ACD/Index Name]
5-[(2R,3S)-3,7-Dihydroxy-3,4-dihydro-2H-chromen-2-yl]-1,2,3-benzenetriol [ACD/IUPAC Name]
5-[(2R,3S)-3,7-Dihydroxy-3,4-dihydro-2H-chromén-2-yl]-1,2,3-benzènetriol [French] [ACD/IUPAC Name]
5-[(2R,3S)-3,7-Dihydroxy-3,4-dihydro-2H-chromen-2-yl]-1,2,3-benzoltriol [German] [ACD/IUPAC Name]
528-56-3 [RN]
Robinetinidol [Wiki]
5-[(2R,3S)-3,7-dihydroxy-3,4-dihydro-2-chromen-2-yl]benzene-1,2,3-triol
  • Miscellaneous
    • Chemical Class:

      A pentahydroxyflavan that is (2<stereo>S</stereo>)-flavan substituted by hydroxy groups at positions 3, 7, 3', 4' and 5'. Isolated from <ital>Acacia mearnsii</ital>, it exhibits inhibitory activity ag ainst <greek>alpha</greek>-amylase and lipase. ChEBI CHEBI:68327

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 623.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 330.8±31.5 °C
Index of Refraction: 1.742
Molar Refractivity: 73.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 0.51
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.80
ACD/KOC (pH 5.5): 53.10
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.74
ACD/KOC (pH 7.4): 51.28
Polar Surface Area: 110 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 88.1±3.0 dyne/cm
Molar Volume: 182.2±3.0 cm3

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