ChemSpider 2D Image | 4-{5-[7-(alpha-D-Glucopyranosyloxy)-3,5-dihydroxy-6-methoxy-4-oxo-4H-chromen-2-yl]-2-methoxyphenyl}-2-methylbutyl acetate | C30H36O14

4-{5-[7-(α-D-Glucopyranosyloxy)-3,5-dihydroxy-6-methoxy-4-oxo-4H-chromen-2-yl]-2-methoxyphenyl}-2-methylbutyl acetate

  • Molecular FormulaC30H36O14
  • Average mass620.598 Da
  • Monoisotopic mass620.210510 Da
  • ChemSpider ID9933275

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

4-{5-[7-(α-D-Glucopyranosyloxy)-3,5-dihydroxy-6-methoxy-4-oxo-4H-chromen-2-yl]-2-methoxyphenyl}-2-methylbutyl acetate [ACD/IUPAC Name]
4-{5-[7-(α-D-Glucopyranosyloxy)-3,5-dihydroxy-6-methoxy-4-oxo-4H-chromen-2-yl]-2-methoxyphenyl}-2-methylbutyl-acetat [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[3-[4-(acetyloxy)-3-methylbutyl]-4-methoxyphenyl]-7-(α-D-glucopyranosyloxy)-3,5-dihydroxy-6-methoxy- [ACD/Index Name]
Acétate de 4-{5-[7-(α-D-glucopyranosyloxy)-3,5-dihydroxy-6-méthoxy-4-oxo-4H-chromén-2-yl]-2-méthoxyphényl}-2-méthylbutyle [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: 848.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.2±3.0 kJ/mol
Flash Point: 273.4±27.8 °C
Index of Refraction: 1.626
Molar Refractivity: 151.2±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.31
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.86
ACD/KOC (pH 5.5): 50.25
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.52
Polar Surface Area: 211 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 69.2±3.0 dyne/cm
Molar Volume: 427.0±3.0 cm3

Click to predict properties on the Chemicalize site


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