ChemSpider 2D Image | beta-D-Glucopyranosyl-(1->6)-[2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl-(1->3)]-5-O-acetyl-1,2-O-isopropylidene-3,6-dithio-alpha-D-glucofuranose | C31H46O19S2

β-D-Glucopyranosyl-(1->6)-[2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl-(1->3)]-5-O-acetyl-1,2-O-isopropylidene-3,6-dithio-α-D-glucofuranose

  • Molecular FormulaC31H46O19S2
  • Average mass786.815 Da
  • Monoisotopic mass786.207458 Da
  • ChemSpider ID8994363

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

α-D-Glucofuranose, O-β-D-glucopyranosyl-(1->6)-O-[2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl-(1->3)]-1,2-O-(1-methylethylidene)-3,6-dithio-, 5-acetate [ACD/Index Name]
β-D-Glucopyranosyl-(1->6)-[2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl-(1->3)]-5-O-acetyl-1,2-O-isopropyliden-3,6-dithio-α-D-glucofuranose [German] [ACD/IUPAC Name]
β-D-Glucopyranosyl-(1->6)-[2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl-(1->3)]-5-O-acetyl-1,2-O-isopropylidene-3,6-dithio-α-D-glucofuranose [ACD/IUPAC Name]
β-D-Glucopyranosyl-(1->6)-[2,3,4,6-tétra-O-acétyl-β-D-glucopyranosyl-(1->3)]-5-O-acétyl-1,2-O-isopropylidène-3,6-dithio-α-D-glucofuranose [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: 848.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.2±6.0 kJ/mol
Flash Point: 466.8±34.3 °C
Index of Refraction: 1.585
Molar Refractivity: 177.3±0.4 cm3
#H bond acceptors: 19
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.10
ACD/KOC (pH 5.5): 78.14
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.10
ACD/KOC (pH 7.4): 78.14
Polar Surface Area: 309 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 68.4±5.0 dyne/cm
Molar Volume: 529.1±5.0 cm3

Click to predict properties on the Chemicalize site


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