Glucocheirolin

CAS Registry Number®

15592-36-6

CAS Name

Glucocheirolin

Molecular Formula

C11H21NO11S3.K

Cite this Page

Glucocheirolin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=15592-36-6 (retrieved 2024-11-24) (CAS RN: 15592-36-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    168 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H21NO11S3.K/c1-25(17,18)4-2-3-7(12-23-26(19,20)21)24-11-10(16)9(15)8(14)6(5-13)22-11;/h6,8-11,13-16H,2-5H2,1H3,(H,19,20,21);/t6-,8-,9+,10-,11+;/m1./s1

InChIKey

InChIKey=XJGRQWKGHNEVGD-VLHAZNHLSA-N

SMILES

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

Canonical SMILES

[K].O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CCCS(=O)(=O)C

Other Names for this Substance

  • β-D-Glucopyranose, 1-thio-, 1-[4-(methylsulfonyl)-N-(sulfooxy)butanimidate], monopotassium salt
  • Glucopyranose, 1-thio-, 1-[4-(methylsulfonyl)butyrohydroximate], NO-(hydrogen sulfate), monopotassium salt, β-D-
  • Glucocheirolin
  • Glucocheirolin, potassium salt

Deleted or Replaced CAS Registry Numbers

1329-89-1, 29698-57-5, 31014-88-7