ChemSpider 2D Image | 1-C-{1-Hydroxy-5-(methylsulfanyl)-1-[(sulfooxy)imino]-2-pentanyl}-1-thio-beta-D-glucopyranose | C12H23NO10S3

1-C-{1-Hydroxy-5-(methylsulfanyl)-1-[(sulfooxy)imino]-2-pentanyl}-1-thio-β-D-glucopyranose

  • Molecular FormulaC12H23NO10S3
  • Average mass437.507 Da
  • Monoisotopic mass437.048401 Da
  • ChemSpider ID57576447
  • defined stereocentres - 5 of 6 defined stereocentres


More details:






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

1-C-{1-Hydroxy-5-(methylsulfanyl)-1-[(sulfooxy)imino]-2-pentanyl}-1-thio-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-C-{1-Hydroxy-5-(methylsulfanyl)-1-[(sulfooxy)imino]-2-pentanyl}-1-thio-β-D-glucopyranose [ACD/IUPAC Name]
1-C-{1-Hydroxy-5-(méthylsulfanyl)-1-[(sulfooxy)imino]-2-pentanyl}-1-thio-β-D-glucopyranose [French] [ACD/IUPAC Name]
1-Thio-β-D-glucopyranose1-[5-(methylthio)-N-(sulphooxy)-valerimidate]
21973-56-8 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.664
Molar Refractivity: 91.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.35
ACD/LogD (pH 5.5): -3.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 259 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 73.3±7.0 dyne/cm
Molar Volume: 246.6±7.0 cm3

Click to predict properties on the Chemicalize site






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