(2R,3R,4S,5R,6S)-3,4,5-Trihydroxy-2-(Hydroxymethyl)-6-(C-(3-Methylsulfanylpropyl)-N-Sulfonatooxy-Carbonimidoyl)Sulfanyl-Oxane
[CAS# 26888-03-9]

Identification

• Name: (2R,3R,4S,5R,6S)-3,4,5-Trihydroxy-2-(Hydroxymethyl)-6-(C-(3-Methylsulfanylpropyl)-N-Sulfonatooxy-Carbonimidoyl)Sulfanyl-Oxane
• Synonyms: [[4-Methylsulfanyl-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Sulfanyl-Butylidene]Amino] Sulfate; [[4-(Methylthio)-1-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Thio]Butylidene]Amino] Sulfate; [[4-(Methylthio)-1-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Thio]Butylidene]Amino] Sulfate
• Molecular Formula: C₁₁H₂₀NO₉S₃
• Molecular Weight: 406.46
• CAS Registry Number: 26888-03-9
• SMILES: [C@H]1(SC(=N/O[S]([O-])(=O)=O)/CCCSC)[C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O
• InChI: 1S/C11H21NO9S3/c1-22-4-2-3-7(12-21-24(17,18)19)23-11-10(16)9(15)8(14)6(5-13)20-11/h6,8-11,13-16H,2-5H2,1H3,(H,17,18,19)/p-1/b12-7+/t6-,8-,9+,10-,11+/m1/s1
• InChIKey: ZCZCVJVUJGULMO-BZVDQRPCSA-M