ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 2-O-(6-O-acetyl-beta-D-glucopyranosyl)-beta-D-glucopyranoside | C29H32O17

2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 2-O-(6-O-acetyl-β-D-glucopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC29H32O17
  • Average mass652.554 Da
  • Monoisotopic mass652.163940 Da
  • ChemSpider ID4591015

  • 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-hydroxy-4-oxo-4H-chromen-7-yl 2-O-(6-O-acetyl-β-D-glucopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl-2-O-(6-O-acetyl-β-D-glucopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-(6-O-Acétyl-β-D-glucopyranosyl)-β-D-glucopyranoside de 2-(3,4-dihydroxyphényl)-5-hydroxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-((2-O-(6-O-acetyl-β-D-glucopyranosyl)-β-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5-hydroxy-
4H-1-Benzopyran-4-one, 7-[[2-O-(6-O-acetyl-β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy- [ACD/Index Name]
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
[(2R,3S,4S,5R,6S)-6-{[(2S,3R,4S,5S,6R)-2-{[2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-4-OXOCHROMEN-7-YL]OXY}-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-3-YL]OXY}-3,4,5-TRIHYDROXYOXAN-2-YL]METHYL ACETATE
[135546-08-6] [RN]
135546-08-6 [RN]
4H-1-Benzopyran-4-one,7-[[2-O-(6-O-acetyl-b-D-glucopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 988.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.0±3.0 kJ/mol
Flash Point: 321.8±27.8 °C
Index of Refraction: 1.727
Molar Refractivity: 148.0±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.24
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.66
Polar Surface Area: 272 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 112.2±5.0 dyne/cm
Molar Volume: 371.8±5.0 cm3

Click to predict properties on the Chemicalize site


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