ChemSpider 2D Image | (3S)-3,5,7-Trihydroxy-3-(4-methoxybenzyl)-2,3-dihydro-4H-chromen-4-one | C17H16O6

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

  • Molecular FormulaC17H16O6
  • Average mass316.305 Da
  • Monoisotopic mass316.094696 Da
  • ChemSpider ID57641829

  • 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-methoxybenzyl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3S)-3,5,7-Trihydroxy-3-(4-methoxybenzyl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3S)-3,5,7-Trihydroxy-3-(4-méthoxybenzyl)-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-methoxyphenyl)methyl]-, (3S)- [ACD/Index Name]
(3S)-3,5,7-trihydroxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one
(S)-2,3-Dihydro-3,5,7-trihydroxy-3-[(4-methoxyphenyl)methyl]-4H-1-benzopyran-4-one
17934-12-2 [RN]
Eucomol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 584.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 218.8±23.6 °C
Index of Refraction: 1.667
Molar Refractivity: 81.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 94.85
ACD/KOC (pH 5.5): 899.47
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 33.28
ACD/KOC (pH 7.4): 315.61
Polar Surface Area: 96 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 71.2±3.0 dyne/cm
Molar Volume: 218.4±3.0 cm3

Click to predict properties on the Chemicalize site


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