ChemSpider 2D Image | (3S)-3,5,7-Trihydroxy-3-(4-hydroxybenzyl)-2,3-dihydro-4H-chromen-4-one | C16H14O6

(3S)-3,5,7-Trihydroxy-3-(4-hydroxybenzyl)-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC16H14O6
  • Average mass302.279 Da
  • Monoisotopic mass302.079041 Da
  • ChemSpider ID57641875
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-3,5,7-Trihydroxy-3-(4-hydroxybenzyl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3S)-3,5,7-Trihydroxy-3-(4-hydroxybenzyl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3S)-3,5,7-Trihydroxy-3-(4-hydroxybenzyl)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-3-[(4-hydroxyphenyl)methyl]-, (3S)- [ACD/Index Name]
4'-O-demethyleucomol
887375-72-6 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 625.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 238.2±25.0 °C
Index of Refraction: 1.724
Molar Refractivity: 76.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 34.93
ACD/KOC (pH 5.5): 440.00
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 12.33
ACD/KOC (pH 7.4): 155.36
Polar Surface Area: 107 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 88.2±3.0 dyne/cm
Molar Volume: 192.8±3.0 cm3

Click to predict properties on the Chemicalize site






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