ChemSpider 2D Image | (3S)-5,7-Dihydroxy-3-(4-hydroxybenzyl)-6-methoxy-2,3-dihydro-4H-chromen-4-one | C17H16O6

(3S)-5,7-Dihydroxy-3-(4-hydroxybenzyl)-6-methoxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC17H16O6
  • Average mass316.305 Da
  • Monoisotopic mass316.094696 Da
  • ChemSpider ID68897927
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-5,7-Dihydroxy-3-(4-hydroxybenzyl)-6-methoxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3S)-5,7-Dihydroxy-3-(4-hydroxybenzyl)-6-methoxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3S)-5,7-Dihydroxy-3-(4-hydroxybenzyl)-6-méthoxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6-methoxy-, (3S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 603.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 226.5±25.0 °C
Index of Refraction: 1.659
Molar Refractivity: 81.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.10
ACD/KOC (pH 5.5): 902.67
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 40.38
ACD/KOC (pH 7.4): 383.29
Polar Surface Area: 96 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 67.3±3.0 dyne/cm
Molar Volume: 221.4±3.0 cm3

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