Found 1 result

Search term: MRRDNEKQNDQHAF (Found by InChIKey (skeleton match))

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

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

  • Molecular FormulaC24H22O14
  • Average mass534.423 Da
  • Monoisotopic mass534.100952 Da
  • ChemSpider ID10002243
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

6-(3,4-Dimethoxyphenyl)-9-hydroxy-8-oxo-8H-[1,3]dioxolo[4,5-g]chromen-7-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
6-(3,4-Dimethoxyphenyl)-9-hydroxy-8-oxo-8H-[1,3]dioxolo[4,5-g]chromen-7-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one, 6-(3,4-dimethoxyphenyl)-7-(β-D-glucopyranuronosyloxy)-9-hydroxy- [ACD/Index Name]
Acide β-D-glucopyranosiduronique de 6-(3,4-diméthoxyphényl)-9-hydroxy-8-oxo-8H-[1,3]dioxolo[4,5-g]chromén-7-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 846.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.9±3.0 kJ/mol
Flash Point: 290.5±27.8 °C
Index of Refraction: 1.718
Molar Refractivity: 120.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.56
ACD/LogD (pH 5.5): -1.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 100.8±5.0 dyne/cm
Molar Volume: 305.1±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement