ChemSpider 2D Image | alpha-D-Glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-1-thio-alpha-D-glucopyranose | C30H52O23S3

α-D-Glucopyranosyl-(1->4)-4-thio-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-4-thio-α-D-glucopyranosyl-(1->4)-1-thio-α-D-glucopyranose

  • Molecular FormulaC30H52O23S3
  • Average mass876.915 Da
  • Monoisotopic mass876.206177 Da
  • ChemSpider ID396096
  • defined stereocentres - 25 of 25 defined stereocentres


More details:






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

α-D-Glucopyranose, O-α-D-glucopyranosyl-(1->4)-O-4-thio-α-D-glucopyranosyl-(1->4)-O-α-D-glucopyranosyl-(1->4)-O-4-thio-α-D-glucopyranosyl-(1->4)-1-thio- [ACD/Index Name]
α-D-Glucopyranosyl-(1->4)-4-thio-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-4-thio-α-D-glucopyranosyl-(1->4)-1-thio-α-D-glucopyranose [ACD/IUPAC Name]
α-D-Glucopyranosyl-(1->4)-4-thio-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-4-thio-α-D-glucopyranosyl-(1->4)-1-thio-α-D-glucopyranose [German] [ACD/IUPAC Name]
α-D-Glucopyranosyl-(1->4)-4-thio-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-4-thio-α-D-glucopyranosyl-(1->4)-1-thio-α-D-glucopyranose [French] [ACD/IUPAC Name]
(R)-RETRO-THIORPHAN
THIO-MALTOPENTAOSE
TM5

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

RRT [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 1232.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 207.0±6.0 kJ/mol
Flash Point: 699.5±34.3 °C
Index of Refraction: 1.729
Molar Refractivity: 190.8±0.4 cm3
#H bond acceptors: 23
#H bond donors: 16
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -2.22
ACD/LogD (pH 5.5): -3.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 478 Å2
Polarizability: 75.7±0.5 10-24cm3
Surface Tension: 126.8±5.0 dyne/cm
Molar Volume: 478.6±5.0 cm3

Click to predict properties on the Chemicalize site





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