ChemSpider 2D Image | Thiodigalactoside | C12H22O10S

Thiodigalactoside

  • Molecular FormulaC12H22O10S
  • Average mass358.362 Da
  • Monoisotopic mass358.093353 Da
  • ChemSpider ID26330279
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

1-Thio-β-D-glucopyranoside de β-L-glucopyranosyle [French] [ACD/IUPAC Name]
Thiodigalactoside
β-D-Glucopyranoside, β-L-glucopyranosyl 1-thio- [ACD/Index Name]
β-L-Glucopyranosyl 1-thio-β-D-glucopyranoside [ACD/IUPAC Name]
β-L-Glucopyranosyl-1-thio-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}oxane-3,4,5-triol
51555-87-4 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 712.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.0±6.0 kJ/mol
Flash Point: 384.7±32.9 °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: -2.50
ACD/LogD (pH 5.5): -2.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.73
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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