Deprecated ChemSpider Record

You have reached the page for a ChemSpider record that has been deprecated.

This page is not active and is only accessible by directly using this URL. If you have been directed here from another website or database please notify the administrator of that resource. See below for more details.


ChemSpider 2D Image | Progoitrin | C11H19NO9S2

Progoitrin

  • Molecular FormulaC11H19NO9S2
  • Average mass373.400 Da
  • Monoisotopic mass373.050110 Da
  • ChemSpider ID58145377
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:





Date of deprecation: 11:22, Jun 21, 2019
Reason for deprecation: Deprecate record: Structure is missing an oxygen

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

1-S-[(1Z,3R)-3-Hydroxy-N-sulfo-4-pentenimidoyl]-1-thio-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-S-[(1Z,3R)-3-Hydroxy-N-sulfo-4-pentenimidoyl]-1-thio-β-D-glucopyranose [ACD/IUPAC Name]
1-S-[(1Z,3R)-3-Hydroxy-N-sulfo-4-pentenimidoyl]-1-thio-β-D-glucopyranose [French] [ACD/IUPAC Name]
585-95-5 [RN]
Progoitrin [Wiki]
β-D-Glucopyranose, 1-S-[(1Z,3R)-3-hydroxy-1-(sulfoimino)-4-penten-1-yl]-1-thio- [ACD/Index Name]
1-S-[(1Z,3R)-3-hydroxy-N-(sulfooxy)pent-4-enimidoyl]-1-thio-β-D-glucopyranose
2(R)-2-Hydroxy-3-butenyl glucosinolate
Glucorapiferin
  • Miscellaneous
    • Chemical Class:

      The stereoisomer of <stereo>xi</stereo>-progoitrin that has <stereo>R</stereo> at the carbon bearing the allylic hydroxy group. ChEBI CHEBI:79352

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: 1.661
Molar Refractivity: 77.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.00
ACD/LogD (pH 5.5): -4.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 211 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 76.0±7.0 dyne/cm
Molar Volume: 210.1±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement