ChemSpider 2D Image | 2,3-Dehydrosilychristin | C25H20O10

2,3-Dehydrosilychristin

  • Molecular FormulaC25H20O10
  • Average mass480.420 Da
  • Monoisotopic mass480.105652 Da
  • ChemSpider ID57530612

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,3-Dehydrosilychristin
3,5,7-Trihydroxy-2-[(2R,3S)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-4H-chromen-4-on [German] [ACD/IUPAC Name]
3,5,7-Trihydroxy-2-[(2R,3S)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-4H-chromen-4-one [ACD/IUPAC Name]
3,5,7-Trihydroxy-2-[(2R,3S)-7-hydroxy-2-(4-hydroxy-3-méthoxyphényl)-3-(hydroxyméthyl)-2,3-dihydro-1-benzofuran-5-yl]-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[(2R,3S)-2,3-dihydro-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-benzofuranyl]-3,5,7-trihydroxy- [ACD/Index Name]
57499-41-9 [RN]
2,3-dihydrosilychristin

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

Density: 1.6±0.1 g/cm3
Boiling Point: 756.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 262.1±26.4 °C
Index of Refraction: 1.748
Molar Refractivity: 119.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 26.82
ACD/KOC (pH 5.5): 349.00
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 1.40
ACD/KOC (pH 7.4): 18.20
Polar Surface Area: 166 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 87.9±3.0 dyne/cm
Molar Volume: 294.9±3.0 cm3

Click to predict properties on the Chemicalize site


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