ChemSpider 2D Image | 2-(7-Hydroxy-2,2,4,6-tetramethyl-3-oxo-2,3-dihydro-1H-inden-5-yl)ethyl beta-D-glucopyranoside | C21H30O8

2-(7-Hydroxy-2,2,4,6-tetramethyl-3-oxo-2,3-dihydro-1H-inden-5-yl)ethyl β-D-glucopyranoside

  • Molecular FormulaC21H30O8
  • Average mass410.458 Da
  • Monoisotopic mass410.194061 Da
  • ChemSpider ID33823650

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1H-Inden-1-one, 6-[2-(β-D-glucopyranosyloxy)ethyl]-2,3-dihydro-4-hydroxy-2,2,5,7-tetramethyl- [ACD/Index Name]
2-(7-Hydroxy-2,2,4,6-tetramethyl-3-oxo-2,3-dihydro-1H-inden-5-yl)ethyl β-D-glucopyranoside [ACD/IUPAC Name]
2-(7-Hydroxy-2,2,4,6-tetramethyl-3-oxo-2,3-dihydro-1H-inden-5-yl)ethyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 2-(7-hydroxy-2,2,4,6-tétraméthyl-3-oxo-2,3-dihydro-1H-indén-5-yl)éthyle [French] [ACD/IUPAC Name]
[76947-60-9] [RN]
76947-60-9 [RN]
MFCD20274996
Onitin 2'-O-glucoside

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

Density: 1.4±0.1 g/cm3
Boiling Point: 657.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 228.9±25.0 °C
Index of Refraction: 1.617
Molar Refractivity: 103.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.97
ACD/KOC (pH 5.5): 75.79
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.95
ACD/KOC (pH 7.4): 75.48
Polar Surface Area: 137 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 70.2±5.0 dyne/cm
Molar Volume: 294.9±5.0 cm3

Click to predict properties on the Chemicalize site


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