ChemSpider 2D Image | Thiodiglucoside | C12H22O10S

Thiodiglucoside

  • Molecular FormulaC12H22O10S
  • Average mass358.362 Da
  • Monoisotopic mass358.093353 Da
  • ChemSpider ID26324475
  • defined stereocentres - 9 of 10 defined stereocentres


More details:






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

108392-13-8 [RN]
5-Thio-β-D-glucopyranosyl D-glucopyranoside [ACD/IUPAC Name]
5-Thio-β-D-glucopyranosyl-D-glucopyranosid [German] [ACD/IUPAC Name]
D-Glucopyranoside de 5-thio-β-D-glucopyranosyle [French] [ACD/IUPAC Name]
D-Glucopyranoside, 5-thio-β-D-glucopyranosyl [ACD/Index Name]
Thiodiglucoside
?-D-Glucopyranosyl1-thio-?-D-glucopyranoside
[108392-13-8] [RN]
D-GLUCOPYRANOSYL β-D-THIOGLUCOPYRANOSIDE
MFCD00063418
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 666.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±6.0 kJ/mol
Flash Point: 356.7±31.5 °C
Index of Refraction: 1.691
Molar Refractivity: 77.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -3.26
ACD/LogD (pH 5.5): -3.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 115.6±5.0 dyne/cm
Molar Volume: 201.4±5.0 cm3

Click to predict properties on the Chemicalize site






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