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

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

  • Molecular FormulaC17H24O11
  • Average mass404.366 Da
  • Monoisotopic mass404.131866 Da
  • ChemSpider ID21542566

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,4aR,7aR)-1-(β-D-Glucopyranosyloxy)-4a-hydroxy-7-(hydroxyméthyl)-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-hydroxy-7-(hydroxymethyl)-, methyl ester, (1S,4aR,7aR)- [ACD/Index Name]
Methyl (1S,4aR,7aR)-1-(β-D-glucopyranosyloxy)-4a-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate [ACD/IUPAC Name]
Methyl-(1S,4aR,7aR)-1-(β-D-glucopyranosyloxy)-4a-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylat [German] [ACD/IUPAC Name]
[23407-76-3] [RN]
23407-76-3 [RN]
Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-4a-hydroxy-7-(hydroxymethyl)-, methyl ester, (1S,4aR,7aR)-
CYCLOPENTA[C]PYRAN-4-CARBOXYLICACID, 1-(B-D-GLUCOPYRANOSYLOXY)-1,4A,5,7A-TETRAHYDRO-4A-HYDROXY-7-(HYDROXYMETHYL)-,METHYL ESTER, (1S,4AR,7AR)-
METHYL (1S,4AR,7AR)-4A-HYDROXY-7-(HYDROXYMETHYL)-1-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-1H,5H,7AH-CYCLOPENTA[C]PYRAN-4-CARBOXYLATE
MFCD20260837
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 690.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.9 mmHg at 25°C
    Enthalpy of Vaporization: 115.7±6.0 kJ/mol
    Flash Point: 248.6±25.0 °C
    Index of Refraction: 1.644
    Molar Refractivity: 90.1±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 6
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: -2.13
    ACD/LogD (pH 5.5): -1.98
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.00
    ACD/LogD (pH 7.4): -1.98
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.00
    Polar Surface Area: 175 Å2
    Polarizability: 35.7±0.5 10-24cm3
    Surface Tension: 87.3±5.0 dyne/cm
    Molar Volume: 248.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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