Cas no 22149-26-4 (b-D-Glucopyranose, 1-thio-,1-[5-(methylsulfonyl)-N-(sulfooxy)pentanimidate], potassium salt (1:1))

b-D-Glucopyranose, 1-thio-,1-[5-(methylsulfonyl)-N-(sulfooxy)pentanimidate], potassium salt (1:1) structure
22149-26-4 structure
Product Name:b-D-Glucopyranose, 1-thio-,1-[5-(methylsulfonyl)-N-(sulfooxy)pentanimidate], potassium salt (1:1)
CAS No:22149-26-4
MF:C12H22KNO11S3
MW:491.596481800079
CID:254619
PubChem ID:56841026
Update Time:2025-04-19

b-D-Glucopyranose, 1-thio-,1-[5-(methylsulfonyl)-N-(sulfooxy)pentanimidate], potassium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranose, 1-thio-,1-[5-(methylsulfonyl)-N-(sulfooxy)pentanimidate], potassium salt (1:1)
    • potassium,[(E)-[5-methylsulfonyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpentylidene]amino] sulfate
    • 1-S-[(1E)-5-(methylsulfonyl)-N-(sulfonatooxy)pentanimidoyl]-1-thio-beta-D-glucopyranos
    • beta-d-Glucopyranose, 1-thio-, 1-(5-(methylsulfonyl)-N-(sulfooxy)pentanimidate), monopotassium salt
    • beta-D-Glucopyranose, 1-thio-, 1-(5-(methylsulfonyl)-N-(sulfooxy)pentanimidate), potassium
    • Glucoerysolin
    • Glucoerysolin potassium salt
    • Glucopyranose, 1-thio-, 1-(5-(methylsulfonyl)valerohydroximate) NO-(hydrogen sulfate), monopotassium salt, beta-D-
    • DTXSID40176677
    • 22149-26-4
    • EINECS 244-806-2
    • 4-methylsulfonylbutylglucosinolate
    • 4-(Methylsulfonyl)butyl glucosinolate
    • 4-Methylsulfonylbutyl glucosinolate
    • Inchi： 1S/C12H23NO11S3.K/c1-26(18,19)5-3-2-4-8(13-24-27(20,21)22)25-12-11(17)10(16)9(15)7(6-14)23-12;/h7,9-12,14-17H,2-6H2,1H3,(H,20,21,22);/q;+1/p-1/b13-8+;/t7-,9-,10+,11-,12+;/m1./s1
    • InChI Key： MRWGDPZZBCERIT-DHPXDJSUSA-M
    • SMILES： [K+].S(/C(/CCCCS(C)(=O)=O)=N/OS(=O)(=O)[O-])[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O

Computed Properties

  • Exact Mass: 492.00703
  • Monoisotopic Mass: 492.00703
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 9
  • Complexity: 714
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 218
  • XLogP3: -2.124

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C

b-D-Glucopyranose, 1-thio-,1-[5-(methylsulfonyl)-N-(sulfooxy)pentanimidate], potassium salt (1:1) Related Literature

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22149-26-4 (b-D-Glucopyranose, 1-thio-,1-[5-(methylsulfonyl)-N-(sulfooxy)pentanimidate], potassium salt (1:1)) Related Products

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