ChemSpider 2D Image | 1-S-[(1E)-3-Hydroxy-N-(sulfooxy)-4-pentenimidoyl]-1-thio-beta-D-glucopyranose | C11H19NO10S2

1-S-[(1E)-3-Hydroxy-N-(sulfooxy)-4-pentenimidoyl]-1-thio-β-D-glucopyranose

  • Molecular FormulaC11H19NO10S2
  • Average mass389.399 Da
  • Monoisotopic mass389.045044 Da
  • ChemSpider ID31150829

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1-S-[(1E)-3-Hydroxy-N-(sulfooxy)-4-pentenimidoyl]-1-thio-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-S-[(1E)-3-Hydroxy-N-(sulfooxy)-4-pentenimidoyl]-1-thio-β-D-glucopyranose [ACD/IUPAC Name]
1-S-[(1E)-3-Hydroxy-N-(sulfooxy)-4-pentenimidoyl]-1-thio-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-S-[(1E)-3-hydroxy-1-[(sulfooxy)imino]-4-penten-1-yl]-1-thio- [ACD/Index Name]
1-S-[3-hydroxy-N-(sulfooxy)pent-4-enimidoyl]-1-thio-β-D-glucopyranose
ξ-progoitrin
  • Miscellaneous

    • Chemical Class:

      A hydroxy-alkenylglucosinolic acid in which a 3-hydroxybut-1-en-4-yl group is attached to the carbon of the oxime sulfate moiety. ChEBI CHEBI:79350

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 79.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.45
ACD/LogD (pH 5.5): -4.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 220 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 76.1±7.0 dyne/cm
Molar Volume: 216.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement