ChemSpider 2D Image | (-)-Fustin | C15H12O6

(-)-Fustin

  • Molecular FormulaC15H12O6
  • Average mass288.252 Da
  • Monoisotopic mass288.063385 Da
  • ChemSpider ID22913151
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(-)-Fustin
(−)-Fustin
(2S,3S)-2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S,3S)-2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S,3S)-2-(3,4-Dihydroxyphényl)-3,7-dihydroxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
(2S,3S)-Fustin
17654-28-3 [RN]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-, (2S,3S)- [ACD/Index Name]
7714J6FP0C
FUSTIN, (-)-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 644.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 249.2±25.0 °C
Index of Refraction: 1.729
Molar Refractivity: 71.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.73
ACD/KOC (pH 5.5): 105.59
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 2.74
ACD/KOC (pH 7.4): 61.13
Polar Surface Area: 107 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 87.0±3.0 dyne/cm
Molar Volume: 180.3±3.0 cm3

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