ChemSpider 2D Image | 7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl 6-O-acetyl-beta-D-galactopyranoside | C29H32O17

7-[(6-Deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl 6-O-acetyl-β-D-galactopyranoside

  • Molecular FormulaC29H32O17
  • Average mass652.554 Da
  • Monoisotopic mass652.163940 Da
  • ChemSpider ID59696435

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

124027-51-6 [RN]
4H-1-Benzopyran-4-one, 3-[(6-O-acetyl-β-D-galactopyranosyl)oxy]-7-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy- [ACD/Index Name]
6-O-Acétyl-β-D-galactopyranoside de 7-[(6-désoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphényl)-5-hydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
7-[(6-Deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl 6-O-acetyl-β-D-galactopyranoside [ACD/IUPAC Name]
7-[(6-Desoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl-6-O-acetyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
[(2R,3R,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Quercetin 3-(6''-acetyl-galactoside) 7-rhamnoside

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

Density: 1.8±0.1 g/cm3
Boiling Point: 980.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.8±3.0 kJ/mol
Flash Point: 319.3±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: 1.40
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.02
ACD/LogD (pH 7.4): -1.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
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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