ChemSpider 2D Image | 5,8-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-beta-D-allopyranosyl-beta-D-glucopyranoside | C27H30O16

5,8-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-β-D-allopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC27H30O16
  • Average mass610.518 Da
  • Monoisotopic mass610.153381 Da
  • ChemSpider ID19981203
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

2-O-β-D-Allopyranosyl-β-D-glucopyranoside de 5,8-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-((2-O-β-D-allopyranosyl-β-D-glucopyranosyl)oxy)-5,8-dihydroxy-2-(4-hydroxyphenyl)-
4H-1-Benzopyran-4-one, 7-[(2-O-β-D-allopyranosyl-β-D-glucopyranosyl)oxy]-5,8-dihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
5,8-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-β-D-allopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
5,8-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-2-O-β-D-allopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
7-((2-O-β-D-allopyranosyl-β-D-glucopyranosyl)oxy)-5,8-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
96627-12-2 [RN]
isoscutellarein-7-O-(allosylglucoside)

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1009.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.3±3.0 kJ/mol
Flash Point: 333.9±27.8 °C
Index of Refraction: 1.766
Molar Refractivity: 138.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -2.75
ACD/LogD (pH 5.5): -2.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.63
ACD/LogD (pH 7.4): -2.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 126.7±5.0 dyne/cm
Molar Volume: 334.3±5.0 cm3

Click to predict properties on the Chemicalize site






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