ChemSpider 2D Image | 3,5,7-Trihydroxy-2-[(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-chromen-4-one | C25H20O10

3,5,7-Trihydroxy-2-[(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-chromen-4-one

  • Molecular FormulaC25H20O10
  • Average mass480.420 Da
  • Monoisotopic mass480.105652 Da
  • ChemSpider ID62472816

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

142796-24-5 [RN]
2-[(2S,3S)-2,3-Dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-3,5,7-trihydroxy-4H-1-benzopyran-4-one
3,5,7-Trihydroxy-2-[(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-chromen-4-on [German] [ACD/IUPAC Name]
3,5,7-Trihydroxy-2-[(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-chromen-4-one [ACD/IUPAC Name]
3,5,7-Trihydroxy-2-[(2S,3S)-3-(4-hydroxy-3-méthoxyphényl)-2-(hydroxyméthyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[(2S,3S)-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-3,5,7-trihydroxy- [ACD/Index Name]
2,3-Dehydrosilybin B

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

Density: 1.6±0.1 g/cm3
Boiling Point: 761.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 263.8±26.4 °C
Index of Refraction: 1.712
Molar Refractivity: 119.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 32.12
ACD/KOC (pH 5.5): 397.36
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 1.71
ACD/KOC (pH 7.4): 21.18
Polar Surface Area: 155 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 78.3±3.0 dyne/cm
Molar Volume: 305.2±3.0 cm3

Click to predict properties on the Chemicalize site


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