ChemSpider 2D Image | saccharopyrone | C21H32O9

saccharopyrone

  • Molecular FormulaC21H32O9
  • Average mass428.473 Da
  • Monoisotopic mass428.204620 Da
  • ChemSpider ID81363721

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2H-Pyran-2-one, 6-[6-(acetyloxy)-5-methylhexyl]-4-[(6-deoxy-α-L-mannopyranosyl)oxy]-3-methyl- [ACD/Index Name]
6-{4-[(6-Deoxy-α-L-mannopyranosyl)oxy]-3-methyl-2-oxo-2H-pyran-6-yl}-2-methylhexyl acetate [ACD/IUPAC Name]
6-{4-[(6-Desoxy-α-L-mannopyranosyl)oxy]-3-methyl-2-oxo-2H-pyran-6-yl}-2-methylhexyl-acetat [German] [ACD/IUPAC Name]
Acétate de 6-{4-[(6-désoxy-α-L-mannopyranosyl)oxy]-3-méthyl-2-oxo-2H-pyran-6-yl}-2-méthylhexyle [French] [ACD/IUPAC Name]
saccharopyrone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 621.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.6±6.0 kJ/mol
Flash Point: 211.6±25.0 °C
Index of Refraction: 1.543
Molar Refractivity: 106.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.79
ACD/KOC (pH 5.5): 151.27
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.79
ACD/KOC (pH 7.4): 151.26
Polar Surface Area: 132 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 336.1±5.0 cm3

Click to predict properties on the Chemicalize site


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