ChemSpider 2D Image | Methyl (1S,4aS,5S,6S,7aS)-1-(D-glucopyranosyloxy)-5,6-dihydroxy-7-methylene-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate | C17H24O11

Methyl (1S,4aS,5S,6S,7aS)-1-(D-glucopyranosyloxy)-5,6-dihydroxy-7-methylene-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

  • Molecular FormulaC17H24O11
  • Average mass404.366 Da
  • Monoisotopic mass404.131866 Da
  • ChemSpider ID28285373

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1S,4aS,5S,6S,7aS)-1-(D-Glucopyranosyloxy)-5,6-dihydroxy-7-méthylène-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyrane-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclopenta[c]pyran-4-carboxylic acid, 1-(D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,6-dihydroxy-7-methylene-, methyl ester, (1S,4aS,5S,6S,7aS)- [ACD/Index Name]
Methyl (1S,4aS,5S,6S,7aS)-1-(D-glucopyranosyloxy)-5,6-dihydroxy-7-methylene-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate [ACD/IUPAC Name]
Methyl-(1S,4aS,5S,6S,7aS)-1-(D-glucopyranosyloxy)-5,6-dihydroxy-7-methylen-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 652.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 110.1±6.0 kJ/mol
Flash Point: 234.4±25.0 °C
Index of Refraction: 1.631
Molar Refractivity: 89.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.90
ACD/LogD (pH 5.5): -2.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.04
ACD/LogD (pH 7.4): -2.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.04
Polar Surface Area: 175 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 82.3±5.0 dyne/cm
Molar Volume: 252.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement