ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-acetyl-6-O-(6-deoxy-alpha-D-glucopyranosyl)-alpha-D-idopyranoside | C29H32O17

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-acetyl-6-O-(6-deoxy-α-D-glucopyranosyl)-α-D-idopyranoside

  • Molecular FormulaC29H32O17
  • Average mass652.554 Da
  • Monoisotopic mass652.163940 Da
  • ChemSpider ID4481078

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-acetyl-6-O-(6-deoxy-α-D-glucopyranosyl)-α-D-idopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-2-O-acetyl-6-O-(6-desoxy-α-D-glucopyranosyl)-α-D-idopyranosid [German] [ACD/IUPAC Name]
2-O-Acétyl-6-O-(6-désoxy-α-D-glucopyranosyl)-α-D-idopyranoside de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[2-O-acetyl-6-O-(6-deoxy-α-D-glucopyranosyl)-α-D-idopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- [ACD/Index Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-acetyl-6-O-(6-deoxyhexopyranosyl)hexopyranoside
2''-O-Acetylrutin
4H-1-benzopyran-4-one, 3-[[2-O-acetyl-6-O-(6-deoxyhexopyranosyl)hexopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
Quercetin 3-O-α-L-rhamnopyranosyl(1->6)-2''-O-acetyl-β-D-glucopyranoside

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

Density: 1.8±0.1 g/cm3
Boiling Point: 960.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.6±3.0 kJ/mol
Flash Point: 312.7±27.8 °C
Index of Refraction: 1.726
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.31
ACD/LogD (pH 7.4): -1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.07
Polar Surface Area: 272 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 111.0±5.0 dyne/cm
Molar Volume: 371.7±5.0 cm3

Click to predict properties on the Chemicalize site


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