ChemSpider 2D Image | Methyl (1S,4aR,5R,7aR)-1-(beta-D-glucopyranosyloxy)-4a,5-dihydroxy-7-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate | C17H24O11

Methyl (1S,4aR,5R,7aR)-1-(β-D-glucopyranosyloxy)-4a,5-dihydroxy-7-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

  • Molecular FormulaC17H24O11
  • Average mass404.366 Da
  • Monoisotopic mass404.131866 Da
  • ChemSpider ID28509367

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,4aR,5R,7aR)-1-(β-D-Glucopyranosyloxy)-4a,5-dihydroxy-7-méthyl-1,4a,5,7a-tétrahydrocyclopenta[c]pyrane-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-4a,5-dihydroxy-7-methyl-, methyl ester, (1S,4aR,5R,7aR)- [ACD/Index Name]
Methyl (1S,4aR,5R,7aR)-1-(β-D-glucopyranosyloxy)-4a,5-dihydroxy-7-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate [ACD/IUPAC Name]
Methyl-(1S,4aR,5R,7aR)-1-(β-D-glucopyranosyloxy)-4a,5-dihydroxy-7-methyl-1,4a,5,7a-tetrahydrocyclopenta[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: 656.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.6±6.0 kJ/mol
Flash Point: 235.8±25.0 °C
Index of Refraction: 1.642
Molar Refractivity: 90.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.79
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.57
ACD/LogD (pH 7.4): -1.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.56
Polar Surface Area: 175 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 85.5±5.0 dyne/cm
Molar Volume: 249.5±5.0 cm3

Click to predict properties on the Chemicalize site


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