ChemSpider 2D Image | 4-Thio-beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyranosyl-(1->4)-1,4-dithio-beta-D-glucopyranose | C18H32O12S4

4-Thio-β-D-glucopyranosyl-(1->4)-4-thio-β-D-glucopyranosyl-(1->4)-1,4-dithio-β-D-glucopyranose

  • Molecular FormulaC18H32O12S4
  • Average mass568.700 Da
  • Monoisotopic mass568.077637 Da
  • ChemSpider ID394741

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

1,4-DIMERCAPTO-α-D-GLUCOPYRANOSYL-(1-4)-S-1,4-DIMERCAPTO-β-D-GLUCOPYRANOSYL-(1-4)-S-1,4-DIMERCAPTO-β-D-GLUCOPYRANOSE
4-Thio-β-D-glucopyranosyl-(1->4)-4-thio-β-D-glucopyranosyl-(1->4)-1,4-dithio-β-D-glucopyranose [ACD/IUPAC Name]
4-Thio-β-D-glucopyranosyl-(1->4)-4-thio-β-D-glucopyranosyl-(1->4)-1,4-dithio-β-D-glucopyranose [German] [ACD/IUPAC Name]
4-Thio-β-D-glucopyranosyl-(1->4)-4-thio-β-D-glucopyranosyl-(1->4)-1,4-dithio-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-4-thio-β-D-glucopyranosyl-(1->4)-O-4-thio-β-D-glucopyranosyl-(1->4)-1,4-dithio- [ACD/Index Name]
DP5

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

Density: 1.7±0.1 g/cm3
Boiling Point: 943.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 155.7±6.0 kJ/mol
Flash Point: 524.1±34.3 °C
Index of Refraction: 1.722
Molar Refractivity: 129.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.62
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.33
Polar Surface Area: 338 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 108.1±5.0 dyne/cm
Molar Volume: 327.8±5.0 cm3

Click to predict properties on the Chemicalize site


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