ChemSpider 2D Image | 5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-D-galactopyranosiduronic acid | C29H32O17

5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-α-D-galactopyranosiduronic acid

  • Molecular FormulaC29H32O17
  • Average mass652.554 Da
  • Monoisotopic mass652.163940 Da
  • ChemSpider ID4590707

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-D-galactopyranuronosyl]oxy]-5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)- [ACD/Index Name]
5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-α-D-galactopyranosiduronic acid [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-7-yl-2-O-(6-desoxy-α-L-mannopyranosyl)-α-D-galactopyranosiduronsäure [German] [ACD/IUPAC Name]
89915-54-8 [RN]
Acide 2-O-(6-désoxy-α-L-mannopyranosyl)-α-D-galactopyranosiduronique de 5-hydroxy-2-(4-hydroxy-3,5-diméthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
(2S,3R,4S,5R,6R)-3,4-Dihydroxy-6-((5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)-5-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 985.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.5±3.0 kJ/mol
Flash Point: 320.7±27.8 °C
Index of Refraction: 1.708
Molar Refractivity: 148.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.34
ACD/LogD (pH 5.5): -3.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 261 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 103.3±5.0 dyne/cm
Molar Volume: 380.1±5.0 cm3

Click to predict properties on the Chemicalize site


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