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Search term: IUPCXAQYIYDXBJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-8-yl beta-D-glucopyranoside | C27H30O17

2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-8-yl β-D-glucopyranoside

  • Molecular FormulaC27H30O17
  • Average mass626.517 Da
  • Monoisotopic mass626.148315 Da
  • ChemSpider ID137714

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-8-yl β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-8-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7,8-bis(β-D-glucopyranosyloxy)-5-hydroxy- [ACD/Index Name]
β-D-Glucopyranoside de 2-(3,4-dihydroxyphényl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromén-8-yle [French] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-8-(β-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one mono-β-D-glucopyranoside
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-(β-D-glucopyranosyloxy)-5,7-dihydroxy-, mono-β-D-glucopyranoside
76135-83-6 [RN]
Glucosylorientin

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1059.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 162.6±3.0 kJ/mol
Flash Point: 349.0±27.8 °C
Index of Refraction: 1.744
Molar Refractivity: 141.3±0.3 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -3.62
ACD/LogD (pH 5.5): -3.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 286 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 112.9±3.0 dyne/cm
Molar Volume: 348.7±3.0 cm3

Click to predict properties on the Chemicalize site


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