ChemSpider 2D Image | 2-(1-Hydroxy-4-oxo-2,5-cyclohexadien-1-yl)ethyl 6-O-[(4-hydroxyphenyl)acetyl]-beta-L-glucopyranoside | C22H26O10

2-(1-Hydroxy-4-oxo-2,5-cyclohexadien-1-yl)ethyl 6-O-[(4-hydroxyphenyl)acetyl]-β-L-glucopyranoside

  • Molecular FormulaC22H26O10
  • Average mass450.436 Da
  • Monoisotopic mass450.152588 Da
  • ChemSpider ID111307680

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(1-Hydroxy-4-oxo-2,5-cyclohexadien-1-yl)ethyl 6-O-[(4-hydroxyphenyl)acetyl]-β-L-glucopyranoside [ACD/IUPAC Name]
2-(1-Hydroxy-4-oxo-2,5-cyclohexadien-1-yl)ethyl-6-O-[(4-hydroxyphenyl)acetyl]-β-L-glucopyranosid [German] [ACD/IUPAC Name]
2,5-Cyclohexadien-1-one, 4-hydroxy-4-[2-[[6-O-[2-(4-hydroxyphenyl)acetyl]-β-L-glucopyranosyl]oxy]ethyl]- [ACD/Index Name]
6-O-[2-(4-Hydroxyphényl)acétyl]-β-L-glucopyranoside de 2-(1-hydroxy-4-oxo-2,5-cyclohexadién-1-yl)éthyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 722.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 250.4±26.4 °C
Index of Refraction: 1.645
Molar Refractivity: 109.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.59
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.12
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.00
Polar Surface Area: 163 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 79.1±5.0 dyne/cm
Molar Volume: 302.4±5.0 cm3

Click to predict properties on the Chemicalize site


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