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Search term: BRRDUGSKRZQFMI (Found by InChIKey (skeleton match))

ChemSpider 2D Image | "" | C13H24O10S

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  • Molecular FormulaC13H24O10S
  • Average mass372.389 Da
  • Monoisotopic mass372.109009 Da
  • ChemSpider ID25058874
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

""
1186646-24-1 [RN]
4-O-(4-Thio-β-D-glucopyranosyl)-β-D-glucopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 4-O-(4-thio-β-D-glucopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
Methyl-4-O-(4-thio-β-D-glucopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, methyl 4-O-(4-thio-β-D-glucopyranosyl)- [ACD/Index Name]
VAM

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

Density: 1.6±0.1 g/cm3
Boiling Point: 658.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±6.0 kJ/mol
Flash Point: 351.9±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 82.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.68
ACD/LogD (pH 5.5): -1.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.32
ACD/LogD (pH 7.4): -1.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.26
Polar Surface Area: 197 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 81.8±5.0 dyne/cm
Molar Volume: 235.4±5.0 cm3

Click to predict properties on the Chemicalize site






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