ChemSpider 2D Image | (2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(4-methylphenoxy)tetrahydro-2H-pyran-2-thiolate | C13H17O5S

(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(4-methylphenoxy)tetrahydro-2H-pyran-2-thiolate

  • Molecular FormulaC13H17O5S
  • Average mass285.337 Da
  • Monoisotopic mass285.080231 Da
  • ChemSpider ID24827570

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(4-methylphenoxy)tetrahydro-2H-pyran-2-thiolat [German] [ACD/IUPAC Name]
(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(4-methylphenoxy)tetrahydro-2H-pyran-2-thiolate [ACD/IUPAC Name]
(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxyméthyl)-3-(4-méthylphénoxy)tétrahydro-2H-pyrane-2-thiolate [French] [ACD/IUPAC Name]
β-D-Galactopyranose, 2-O-(4-methylphenyl)-1-thio-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 507.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 260.5±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.85
ACD/KOC (pH 5.5): 123.29
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.73
ACD/KOC (pH 7.4): 120.62
Polar Surface Area: 79 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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