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Search term: VNCVYXDSNQMUDV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl {4,7-dimethyl-2-oxo-5-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]-2H-chromen-3-yl}acetate | C28H32O14

Methyl {4,7-dimethyl-2-oxo-5-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-2H-chromen-3-yl}acetate

  • Molecular FormulaC28H32O14
  • Average mass592.545 Da
  • Monoisotopic mass592.179199 Da
  • ChemSpider ID21859027

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

{4,7-Diméthyl-2-oxo-5-[(2,3,4,6-tétra-O-acétyl-β-D-glucopyranosyl)oxy]-2H-chromén-3-yl}acétate de méthyle [French] [ACD/IUPAC Name]
2H-1-Benzopyran-3-acetic acid, 4,7-dimethyl-2-oxo-5-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-, methyl ester [ACD/Index Name]
Methyl {4,7-dimethyl-2-oxo-5-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-2H-chromen-3-yl}acetate [ACD/IUPAC Name]
Methyl-{4,7-dimethyl-2-oxo-5-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-2H-chromen-3-yl}acetat [German] [ACD/IUPAC Name]
(2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-((3-(2-methoxy-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
[4,7-Dimethyl-2-oxo-5-(3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-2H-chromen-3-yl]-acetic acid methyl ester
1222480-55-8 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 669.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 280.0±31.5 °C
Index of Refraction: 1.550
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 215.76
ACD/KOC (pH 5.5): 1630.26
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 215.76
ACD/KOC (pH 7.4): 1630.26
Polar Surface Area: 176 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 434.6±5.0 cm3

Click to predict properties on the Chemicalize site


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