Found 10 results

Search term: MF = 'C_{17}H_{20}O_{11}'
ChemSpider 2D Image | 4-[(E)-2-Carboxyvinyl]-2,6-dimethoxyphenyl beta-D-glucopyranosiduronic acid | C17H20O11

4-[(E)-2-Carboxyvinyl]-2,6-dimethoxyphenyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC17H20O11
  • Average mass400.334 Da
  • Monoisotopic mass400.100555 Da
  • ChemSpider ID128424217

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Propenoic acid, 3-[4-(β-D-glucopyranuronosyloxy)-3,5-dimethoxyphenyl]-, (2E)- [ACD/Index Name]
4-[(E)-2-Carboxyvinyl]-2,6-dimethoxyphenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
4-[(E)-2-Carboxyvinyl]-2,6-dimethoxyphenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 4-[(E)-2-carboxyvinyl]-2,6-diméthoxyphényle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 707.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 255.7±26.4 °C
Index of Refraction: 1.651
Molar Refractivity: 92.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -5.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 82.0±3.0 dyne/cm
Molar Volume: 253.8±3.0 cm3

Click to predict properties on the Chemicalize site


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