ChemSpider 2D Image | 4-(9-Hydroxy-7-methoxy-8-oxo-8H-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-methoxyphenyl beta-D-glucopyranosiduronic acid | C24H22O14

4-(9-Hydroxy-7-methoxy-8-oxo-8H-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-methoxyphenyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC24H22O14
  • Average mass534.423 Da
  • Monoisotopic mass534.100952 Da
  • ChemSpider ID10306191

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-(9-Hydroxy-7-methoxy-8-oxo-8H-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-methoxyphenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
4-(9-Hydroxy-7-methoxy-8-oxo-8H-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-methoxyphenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one, 6-[4-(β-D-glucopyranuronosyloxy)-3-methoxyphenyl]-9-hydroxy-7-methoxy- [ACD/Index Name]
Acide β-D-glucopyranosiduronique de 4-(9-hydroxy-7-méthoxy-8-oxo-8H-[1,3]dioxolo[4,5-g]chromén-6-yl)-2-méthoxyphényle [French] [ACD/IUPAC Name]
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-{9-hydroxy-7-methoxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-6-yl}-2-methoxyphenoxy)oxane-2-carboxylic acid
5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide

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

Density: 1.8±0.0 g/cm3
Boiling Point: 846.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 128.9±0.0 kJ/mol
Flash Point: 290.5±0.0 °C
Index of Refraction: 1.718
Molar Refractivity: 120.3±0.0 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.63
ACD/LogD (pH 5.5): -3.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 47.7±0.0 10-24cm3
Surface Tension: 100.8±0.0 dyne/cm
Molar Volume: 305.1±0.0 cm3

Click to predict properties on the Chemicalize site


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