Glucoiberin

CAS Registry Number®

554-88-1
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CAS Name

Glucoiberin

Molecular Formula

C11H21NO10S3

Molecular Mass

423.48

Cite this Page

Glucoiberin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=554-88-1 (retrieved 2024-04-27) (CAS RN: 554-88-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    141-143 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H21NO10S3/c1-24(17)4-2-3-7(12-22-25(18,19)20)23-11-10(16)9(15)8(14)6(5-13)21-11/h6,8-11,13-16H,2-5H2,1H3,(H,18,19,20)/t6-,8-,9+,10-,11+,24?/m1/s1

InChIKey

InChIKey=PHYYADMVYQURSX-GEINXPCQSA-N

SMILES

S(C(=NOS(=O)(=O)O)CCCS(C)=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Canonical SMILES

O=S(C)CCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranose, 1-thio-, 1-[4-(methylsulfinyl)-N-(sulfooxy)butanimidate]
  • Glucopyranose, 1-thio-, 1-[4-(methylsulfinyl)butyrohydroximate] NO-(hydrogen sulfate), β-D-
  • Glucoiberin
  • 3-(Methylsulfinyl)propyl glucosinolate

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