ChemSpider 2D Image | Methyl (1S,4aS,6S)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-(hydroxymethyl)-1,4a,5,6-tetrahydrocyclopenta[c]pyran-4-carboxylate | C17H24O11

Methyl (1S,4aS,6S)-1-(β-D-glucopyranosyloxy)-6-hydroxy-7-(hydroxymethyl)-1,4a,5,6-tetrahydrocyclopenta[c]pyran-4-carboxylate

  • Molecular FormulaC17H24O11
  • Average mass404.366 Da
  • Monoisotopic mass404.131866 Da
  • ChemSpider ID108341295

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,4aS,6S)-1-(β-D-Glucopyranosyloxy)-6-hydroxy-7-(hydroxyméthyl)-1,4a,5,6-tétrahydrocyclopenta[c]pyrane-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6-tetrahydro-6-hydroxy-7-(hydroxymethyl)-, methyl ester, (1S,4aS,6S)- [ACD/Index Name]
Methyl (1S,4aS,6S)-1-(β-D-glucopyranosyloxy)-6-hydroxy-7-(hydroxymethyl)-1,4a,5,6-tetrahydrocyclopenta[c]pyran-4-carboxylate [ACD/IUPAC Name]
Methyl-(1S,4aS,6S)-1-(β-D-glucopyranosyloxy)-6-hydroxy-7-(hydroxymethyl)-1,4a,5,6-tetrahydrocyclopenta[c]pyran-4-carboxylat [German] [ACD/IUPAC Name]
10-Hydroxy majoroside
259753-12-3 [RN]
methyl (1S,4aS,6S)-6-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6-tetrahydrocyclopenta[c]pyran-4-carboxylate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 700.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.2±6.0 kJ/mol
Flash Point: 252.4±26.4 °C
Index of Refraction: 1.642
Molar Refractivity: 89.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.42
ACD/LogD (pH 5.5): -2.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.07
ACD/LogD (pH 7.4): -2.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.07
Polar Surface Area: 175 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 86.3±5.0 dyne/cm
Molar Volume: 249.0±5.0 cm3

Click to predict properties on the Chemicalize site


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