ChemSpider 2D Image | 4-Ethyl-2-oxo-2H-chromen-7-yl beta-D-glucopyranoside | C17H20O8

4-Ethyl-2-oxo-2H-chromen-7-yl β-D-glucopyranoside

  • Molecular FormulaC17H20O8
  • Average mass352.336 Da
  • Monoisotopic mass352.115814 Da
  • ChemSpider ID21830593

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 4-ethyl-7-(β-D-glucopyranosyloxy)- [ACD/Index Name]
4-Ethyl-2-oxo-2H-chromen-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
4-Ethyl-2-oxo-2H-chromen-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 4-éthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
1177466-48-6 [RN]
4-Ethyl-7-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-chromen-2-one
4-ethyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
7-[(2S,4S,5S,3R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetrahydropyran-2-yloxy)]-4-ethylchromen-2-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 628.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 231.3±25.0 °C
Index of Refraction: 1.625
Molar Refractivity: 84.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.21
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.21
Polar Surface Area: 126 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 68.5±3.0 dyne/cm
Molar Volume: 239.7±3.0 cm3

Click to predict properties on the Chemicalize site


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