ChemSpider 2D Image | (1R,4aR,7S,7aS)-1-(beta-L-Glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid | C16H24O9

(1R,4aR,7S,7aS)-1-(β-L-Glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

  • Molecular FormulaC16H24O9
  • Average mass360.356 Da
  • Monoisotopic mass360.142029 Da
  • ChemSpider ID82964829

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,4aR,7S,7aS)-1-(β-L-Glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbonsäure [German] [ACD/IUPAC Name]
(1R,4aR,7S,7aS)-1-(β-L-Glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid [ACD/IUPAC Name]
Acide (1R,4aR,7S,7aS)-1-(β-L-glucopyranosyloxy)-7-méthyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyrane-4-carboxylique [French] [ACD/IUPAC Name]
Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-L-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, (1R,4aR,7S,7aS)- [ACD/Index 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: 597.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.1±6.0 kJ/mol
Flash Point: 217.9±23.6 °C
Index of Refraction: 1.613
Molar Refractivity: 82.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.97
ACD/LogD (pH 5.5): -1.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 75.7±5.0 dyne/cm
Molar Volume: 237.1±5.0 cm3

Click to predict properties on the Chemicalize site


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