Found 117 results

Search term: MF = 'C_{22}H_{26}O_{11}'
ChemSpider 2D Image | [(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-6-hydroxy-1b,5a,6,6a-tetrahydrooxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl benzoate | C22H26O11

[(1aS,1bS,2S,5aR,6S,6aS)-2-(β-D-Glucopyranosyloxy)-6-hydroxy-1b,5a,6,6a-tetrahydrooxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl benzoate

  • Molecular FormulaC22H26O11
  • Average mass466.435 Da
  • Monoisotopic mass466.147522 Da
  • ChemSpider ID22913400

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

[(1aS,1bS,2S,5aR,6S,6aS)-2-(β-D-Glucopyranosyloxy)-6-hydroxy-1b,5a,6,6a-tetrahydrooxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl benzoate [ACD/IUPAC Name]
[(1aS,1bS,2S,5aR,6S,6aS)-2-(β-D-Glucopyranosyloxy)-6-hydroxy-1b,5a,6,6a-tetrahydrooxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl-benzoat [German] [ACD/IUPAC Name]
Benzoate de [(1aS,1bS,2S,5aR,6S,6aS)-2-(β-D-glucopyranosyloxy)-6-hydroxy-1b,5a,6,6a-tétrahydrooxiréno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]méthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-1a-[(benzoyloxy)methyl]-1a,1b,2,5a,6,6a-hexahydro-6-hydroxyoxireno[4,5]cyclopenta[1,2-c]pyran-2-yl [ACD/Index 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: 719.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 250.8±26.4 °C
Index of Refraction: 1.674
Molar Refractivity: 108.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.93
ACD/LogD (pH 5.5): -1.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.55
ACD/LogD (pH 7.4): -1.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.55
Polar Surface Area: 168 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 85.5±5.0 dyne/cm
Molar Volume: 290.1±5.0 cm3

Click to predict properties on the Chemicalize site


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