ChemSpider 2D Image | (2S,3S)-2-(3,4-Dihydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromene-3,5,7-triyl triacetate | C21H18O10

(2S,3S)-2-(3,4-Dihydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromene-3,5,7-triyl triacetate

  • Molecular FormulaC21H18O10
  • Average mass430.362 Da
  • Monoisotopic mass430.089996 Da
  • ChemSpider ID31130436

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2-(3,4-Dihydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-3,5,7-triyl-triacetat [German] [ACD/IUPAC Name]
(2S,3S)-2-(3,4-Dihydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromene-3,5,7-triyl triacetate [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3,5,7-tris(acetyloxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-, (2S,3S)- [ACD/Index Name]
Triacétate de (2S,3S)-2-(3,4-dihydroxyphényl)-4-oxo-3,4-dihydro-2H-chromène-3,5,7-triyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 658.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 232.1±25.0 °C
Index of Refraction: 1.634
Molar Refractivity: 101.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 10.98
ACD/KOC (pH 5.5): 193.43
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.79
ACD/KOC (pH 7.4): 190.10
Polar Surface Area: 146 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 73.6±5.0 dyne/cm
Molar Volume: 284.0±5.0 cm3

Click to predict properties on the Chemicalize site


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