ChemSpider 2D Image | [(2S,3R,4R)-2-(1,3-Benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylcarbonyl)tetrahydro-3-furanyl]methyl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C32H38O17

[(2S,3R,4R)-2-(1,3-Benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylcarbonyl)tetrahydro-3-furanyl]methyl 4-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC32H38O17
  • Average mass694.634 Da
  • Monoisotopic mass694.210876 Da
  • ChemSpider ID8502794

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

[(2S,3R,4R)-2-(1,3-Benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylcarbonyl)tetrahydro-3-furanyl]methyl 4-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
[(2S,3R,4R)-2-(1,3-Benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylcarbonyl)tetrahydro-3-furanyl]methyl-4-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-β-D-Glucopyranosyl-β-D-glucopyranoside de [(2S,3R,4R)-2-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylcarbonyl)tétrahydro-3-furanyl]méthyle [French] [ACD/IUPAC Name]
Methanone, 1,3-benzodioxol-5-yl[(3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-4-[[(4-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]methyl]tetrahydro-3-furanyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 947.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.4±3.0 kJ/mol
Flash Point: 303.1±27.8 °C
Index of Refraction: 1.692
Molar Refractivity: 160.1±0.4 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.00
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.00
Polar Surface Area: 242 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 95.0±5.0 dyne/cm
Molar Volume: 418.0±5.0 cm3

Click to predict properties on the Chemicalize site


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