ChemSpider 2D Image | beta-D-Xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranose | C20H34O14S3

β-D-Xylopyranosyl-(1->4)-4-thio-β-D-xylopyranosyl-(1->4)-4-thio-β-D-xylopyranosyl-(1->4)-4-thio-β-D-xylopyranose

  • Molecular FormulaC20H34O14S3
  • Average mass594.671 Da
  • Monoisotopic mass594.111084 Da
  • ChemSpider ID25059107

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

β-D-Xylopyranose, O-β-D-xylopyranosyl-(1->4)-O-4-thio-β-D-xylopyranosyl-(1->4)-O-4-thio-β-D-xylopyranosyl-(1->4)-4-thio- [ACD/Index Name]
β-D-Xylopyranosyl-(1->4)-4-thio-β-D-xylopyranosyl-(1->4)-4-thio-β-D-xylopyranosyl-(1->4)-4-thio-β-D-xylopyranose [ACD/IUPAC Name]
β-D-Xylopyranosyl-(1->4)-4-thio-β-D-xylopyranosyl-(1->4)-4-thio-β-D-xylopyranosyl-(1->4)-4-thio-β-D-xylopyranose [German] [ACD/IUPAC Name]
β-D-Xylopyranosyl-(1->4)-4-thio-β-D-xylopyranosyl-(1->4)-4-thio-β-D-xylopyranosyl-(1->4)-4-thio-β-D-xylopyranose [French] [ACD/IUPAC Name]
X4S

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

Density: 1.8±0.1 g/cm3
Boiling Point: 960.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 158.6±6.0 kJ/mol
Flash Point: 534.5±34.3 °C
Index of Refraction: 1.734
Molar Refractivity: 132.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -1.57
ACD/LogD (pH 5.5): -2.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 315 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 117.8±5.0 dyne/cm
Molar Volume: 330.7±5.0 cm3

Click to predict properties on the Chemicalize site


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