ChemSpider 2D Image | 3-O-[(2S,3R,4S)-3,4-Dihydroxy-4-({[(2E)-3-phenyl-2-propenoyl]oxy}methyl)tetrahydro-2-furanyl]-alpha-D-glucopyranose | C20H26O11

3-O-[(2S,3R,4S)-3,4-Dihydroxy-4-({[(2E)-3-phenyl-2-propenoyl]oxy}methyl)tetrahydro-2-furanyl]-α-D-glucopyranose

  • Molecular FormulaC20H26O11
  • Average mass442.414 Da
  • Monoisotopic mass442.147522 Da
  • ChemSpider ID24677815

  • 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

3-O-[(2S,3R,4S)-3,4-Dihydroxy-4-({[(2E)-3-phenyl-2-propenoyl]oxy}methyl)tetrahydro-2-furanyl]-α-D-glucopyranose [German] [ACD/IUPAC Name]
3-O-[(2S,3R,4S)-3,4-Dihydroxy-4-({[(2E)-3-phenyl-2-propenoyl]oxy}methyl)tetrahydro-2-furanyl]-α-D-glucopyranose [ACD/IUPAC Name]
3-O-[(2S,3R,4S)-3,4-Dihydroxy-4-({[(2E)-3-phényl-2-propenoyl]oxy}méthyl)tétrahydro-2-furanyl]-α-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-Glucopyranose, 3-O-[(2S,3R,4S)-tetrahydro-3,4-dihydroxy-4-[[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]methyl]-2-furanyl]- [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: 729.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 256.1±26.4 °C
Index of Refraction: 1.647
Molar Refractivity: 103.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -1.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.52
ACD/LogD (pH 7.4): -1.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.52
Polar Surface Area: 175 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 84.5±5.0 dyne/cm
Molar Volume: 284.9±5.0 cm3

Click to predict properties on the Chemicalize site


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