ChemSpider 2D Image | Methyl (1aR,1bS,2S,5aS,6S,6aS)-2-(beta-D-glucopyranosyloxy)-6-hydroxy-1a-methyl-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylate | C17H24O11

Methyl (1aR,1bS,2S,5aS,6S,6aS)-2-(β-D-glucopyranosyloxy)-6-hydroxy-1a-methyl-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylate

  • Molecular FormulaC17H24O11
  • Average mass404.366 Da
  • Monoisotopic mass404.131866 Da
  • ChemSpider ID28509366

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1aR,1bS,2S,5aS,6S,6aS)-2-(β-D-Glucopyranosyloxy)-6-hydroxy-1a-méthyl-1a,1b,2,5a,6,6a-hexahydrooxiréno[4,5]cyclopenta[1,2-c]pyrane-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (1aR,1bS,2S,5aS,6S,6aS)-2-(β-D-glucopyranosyloxy)-6-hydroxy-1a-methyl-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylate [ACD/IUPAC Name]
Methyl-(1aR,1bS,2S,5aS,6S,6aS)-2-(β-D-glucopyranosyloxy)-6-hydroxy-1a-methyl-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylat [German] [ACD/IUPAC Name]
Oxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylic acid, 2-(β-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-methyl-, methyl ester, (1aR,1bS,2S,5aS,6S,6aS)- [ACD/Index Name]
276691-32-8 [RN]
Phlorigidoside C

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

Density: 1.6±0.1 g/cm3
Boiling Point: 645.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±6.0 kJ/mol
Flash Point: 233.2±25.0 °C
Index of Refraction: 1.634
Molar Refractivity: 88.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -3.17
ACD/LogD (pH 5.5): -2.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.13
ACD/LogD (pH 7.4): -2.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.13
Polar Surface Area: 168 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 82.0±5.0 dyne/cm
Molar Volume: 247.5±5.0 cm3

Click to predict properties on the Chemicalize site


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