ChemSpider 2D Image | (2S,3S)-2-[3,4-Dihydroxy(~2~H_3_)phenyl]-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one | C15H9D3O7

(2S,3S)-2-[3,4-Dihydroxy(2H3)phenyl]-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC15H9D3O7
  • Average mass307.270 Da
  • Monoisotopic mass307.077118 Da
  • ChemSpider ID111311562

  • 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

(2S,3S)-2-[3,4-Dihydroxy(2H3)phenyl]-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S,3S)-2-[3,4-Dihydroxy(2H3)phenyl]-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S,3S)-2-[3,4-Dihydroxy(2H3)phényl]-3,5,7-trihydroxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(4,5-dihydroxyphenyl-2,3,6-d3)-2,3-dihydro-3,5,7-trihydroxy-, (2S,3S)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 687.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 264.2±25.0 °C
Index of Refraction: 1.763
Molar Refractivity: 73.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.31
ACD/KOC (pH 5.5): 183.56
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 3.31
ACD/KOC (pH 7.4): 58.88
Polar Surface Area: 127 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 100.4±3.0 dyne/cm
Molar Volume: 178.7±3.0 cm3

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