ChemSpider 2D Image | Methyl (1S,4aS,7aS)-1-(alpha-D-glucopyranosyloxy)-7-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate | C17H24O10

Methyl (1S,4aS,7aS)-1-(α-D-glucopyranosyloxy)-7-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

  • Molecular FormulaC17H24O10
  • Average mass388.366 Da
  • Monoisotopic mass388.136932 Da
  • ChemSpider ID23089586

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,4aS,7aS)-1-(α-D-Glucopyranosyloxy)-7-méthoxy-1,4a,5,7a-tétrahydrocyclopenta[c]pyrane-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclopenta[c]pyran-4-carboxylic acid, 1-(α-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-methoxy-, methyl ester, (1S,4aS,7aS)- [ACD/Index Name]
Methyl (1S,4aS,7aS)-1-(α-D-glucopyranosyloxy)-7-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate [ACD/IUPAC Name]
Methyl-(1S,4aS,7aS)-1-(α-D-glucopyranosyloxy)-7-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylat [German] [ACD/IUPAC Name]
24512-63-8 [RN]
MFCD00017727 [MDL number]
  • Miscellaneous

    • Compound Source:

      Alibertia macrophylla (Rubiaceae) Susan Richardson [Structure found on ChemSpider, confirmed from ACD/Dictionary]
      Isolated from a plant Susan Richardson [Structure found on ChemSpider, confirmed from ACD/Dictionary]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 622.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.7±6.0 kJ/mol
Flash Point: 224.0±25.0 °C
Index of Refraction: 1.597
Molar Refractivity: 88.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.90
ACD/LogD (pH 5.5): -1.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.93
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.93
Polar Surface Area: 144 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 68.2±5.0 dyne/cm
Molar Volume: 260.6±5.0 cm3

Click to predict properties on the Chemicalize site


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