Gluconapin

CAS Registry Number®

19041-09-9
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CAS Name

Gluconapin

Molecular Formula

C11H19NO9S2

Molecular Mass

373.40

Cite this Page

Gluconapin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19041-09-9 (retrieved 2024-05-11) (CAS RN: 19041-09-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H19NO9S2/c1-2-3-4-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(5-13)20-11/h2,6,8-11,13-16H,1,3-5H2,(H,17,18,19)/t6-,8-,9+,10-,11+/m1/s1

InChIKey

InChIKey=PLYQBXHVYUJNQB-ZHVGPZTNSA-N

SMILES

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

Canonical SMILES

O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CCC=C

Other Names for this Substance

  • β-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)-4-pentenimidate]
  • Glucopyranose, 1-thio-, 1-(4-pentenohydroximate) NO-(hydrogen sulfate), β-D-
  • Gluconapin
  • 3-Butenyl isothiocyanate glucosinolate
  • 4-Isothiocyanato-1-butene glucosinolate

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Deleted or Replaced CAS Registry Numbers

12772-55-3, 37199-27-2

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