ChemSpider 2D Image | (2R,3S)-2-(3,4-Dihydroxyphenyl)-3,5,7-(4,4,6,8-~2~H_4_)chromanetriol | C15H10D4O6

(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,5,7-(4,4,6,8-2H4)chromanetriol

  • Molecular FormulaC15H10D4O6
  • Average mass294.293 Da
  • Monoisotopic mass294.104156 Da
  • ChemSpider ID107449729

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,5,7-(4,4,6,8-2H4)chromanetriol [ACD/IUPAC Name]
(2R,3S)-2-(3,4-Dihydroxyphényl)-3,5,7-(4,4,6,8-2H4)chromanetriol [French] [ACD/IUPAC Name]
(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,5,7-(4,4,6,8-2H4)chromantriol [German] [ACD/IUPAC Name]
2H-1-Benzopyran-4,6,8-d3-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-4-d-, (2R,3S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 630.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 335.0±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: 0.49
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.61
ACD/KOC (pH 5.5): 48.91
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.57
ACD/KOC (pH 7.4): 47.73
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

Click to predict properties on the Chemicalize site


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