1-Thio-beta-D-Glucopyranose 1-[5-(Methylthio)-N-(Sulphooxy)Valerimidate]
[CAS# 21973-56-8]

Identification

• Name: 1-Thio-beta-D-Glucopyranose 1-[5-(Methylthio)-N-(Sulphooxy)Valerimidate]
• Synonyms: [[5-Methylsulfanyl-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Sulfanyl-Pentylidene]Amino] Sulfate; [[5-(Methylthio)-1-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Thio]Pentylidene]Amino] Sulfate; [[5-(Methylthio)-1-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Thio]Pentylidene]Amino] Sulfate
• Molecular Formula: C₁₂H₂₂NO₉S₃
• Molecular Weight: 420.49
• CAS Registry Number: 21973-56-8
• EINECS: 244-689-8
• SMILES: [C@H]1(O)[C@H](O)[C@H](O[C@@H](SC(=N/O[S]([O-])(=O)=O)/CCCCSC)[C@@H]1O)CO
• InChI: 1S/C12H23NO9S3/c1-23-5-3-2-4-8(13-22-25(18,19)20)24-12-11(17)10(16)9(15)7(6-14)21-12/h7,9-12,14-17H,2-6H2,1H3,(H,18,19,20)/p-1/b13-8+/t7-,9-,10+,11-,12+/m1/s1
• InChIKey: GKUMMDFLKGFCKH-KALKGZTMSA-M