ChemSpider 2D Image | [(2S,3R,4R,5R)-3,4-Dihydroxy-5-methoxytetrahydro-2-furanyl]methyl 5-[(1E)-3-{[(2S,3R,4R,5R)-3,4-dihydroxy-5-methoxytetrahydro-2-furanyl]methoxy}-3-oxo-1-propen-1-yl]-2-(4-hydroxy-3-methoxyphenyl)-7-me thoxy-2,3-dihydro-1-benzofuran-3-carboxylate | C32H38O16

[(2S,3R,4R,5R)-3,4-Dihydroxy-5-methoxytetrahydro-2-furanyl]methyl 5-[(1E)-3-{[(2S,3R,4R,5R)-3,4-dihydroxy-5-methoxytetrahydro-2-furanyl]methoxy}-3-oxo-1-propen-1-yl]-2-(4-hydroxy-3-methoxyphenyl)-7-me thoxy-2,3-dihydro-1-benzofuran-3-carboxylate

  • Molecular FormulaC32H38O16
  • Average mass678.635 Da
  • Monoisotopic mass678.216003 Da
  • ChemSpider ID8230878

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 10 defined stereocentres

More details:

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

[(2S,3R,4R,5R)-3,4-Dihydroxy-5-methoxytetrahydro-2-furanyl]methyl 5-[(1E)-3-{[(2S,3R,4R,5R)-3,4-dihydroxy-5-methoxytetrahydro-2-furanyl]methoxy}-3-oxo-1-propen-1-yl]-2-(4-hydroxy-3-methoxyphenyl)-7-me thoxy-2,3-dihydro-1-benzofuran-3-carboxylate [ACD/IUPAC Name]
[(2S,3R,4R,5R)-3,4-Dihydroxy-5-methoxytetrahydro-2-furanyl]methyl-5-[(1E)-3-{[(2S,3R,4R,5R)-3,4-dihydroxy-5-methoxytetrahydro-2-furanyl]methoxy}-3-oxo-1-propen-1-yl]-2-(4-hydroxy-3-methoxyphenyl)-7-me thoxy-2,3-dihydro-1-benzofuran-3-carboxylat [German] [ACD/IUPAC Name]
5-[(1E)-3-{[(2S,3R,4R,5R)-3,4-Dihydroxy-5-méthoxytétrahydro-2-furanyl]méthoxy}-3-oxo-1-propén-1-yl]-2-(4-hydroxy-3-méthoxyphényl)-7-méthoxy-2,3-dihydro-1-benzofurane-3-carboxylate de [(2S,3R,4R,5R)-3, 4-dihydroxy-5-méthoxytétrahydro-2-furanyl]méthyle [French] [ACD/IUPAC 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: 867.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.1±3.0 kJ/mol
Flash Point: 275.0±27.8 °C
Index of Refraction: 1.637
Molar Refractivity: 161.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 0.57
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.96
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.83
Polar Surface Area: 218 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 76.3±5.0 dyne/cm
Molar Volume: 449.0±5.0 cm3

Click to predict properties on the Chemicalize site


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