ChemSpider 2D Image | [(1S,4aR,7aR)-4-Formyl-1-(beta-D-glucopyranosyloxy)-4a-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl (2E)-3-phenylacrylate | C25H28O11

[(1S,4aR,7aR)-4-Formyl-1-(β-D-glucopyranosyloxy)-4a-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl (2E)-3-phenylacrylate

  • Molecular FormulaC25H28O11
  • Average mass504.483 Da
  • Monoisotopic mass504.163147 Da
  • ChemSpider ID9014519

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2E)-3-Phénylacrylate de [(1S,4aR,7aR)-4-formyl-1-(β-D-glucopyranosyloxy)-4a-hydroxy-1,4a,5,7a-tétrahydrocyclopenta[c]pyran-7-yl]méthyle [French] [ACD/IUPAC Name]
[(1S,4aR,7aR)-4-Formyl-1-(β-D-glucopyranosyloxy)-4a-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl (2E)-3-phenylacrylate [ACD/IUPAC Name]
[(1S,4aR,7aR)-4-Formyl-1-(β-D-glucopyranosyloxy)-4a-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-phenyl-, [(1S,4aR,7aR)-4-formyl-1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-4a-hydroxycyclopenta[c]pyran-7-yl]methyl ester, (2E)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 764.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.7±3.0 kJ/mol
Flash Point: 259.0±26.4 °C
Index of Refraction: 1.660
Molar Refractivity: 122.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.06
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.98
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.98
Polar Surface Area: 172 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 79.8±5.0 dyne/cm
Molar Volume: 332.7±5.0 cm3

Click to predict properties on the Chemicalize site


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