(2S,4S,5R,6R)-5-acetamido-2-(4-azido-2-nitro-phenyl)sulfanyl-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
[CAS# 117681-72-8]

Identification

• Name: (2S,4S,5R,6R)-5-acetamido-2-(4-azido-2-nitro-phenyl)sulfanyl-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• Synonyms: (2S,4S,5R,6R)-5-Acetamido-2-(4-Azido-2-Nitro-Phenyl)Sulfanyl-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid; (2S,4S,5R,6R)-5-Acetamido-2-[(4-Azido-2-Nitrophenyl)Thio]-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-2-Tetrahydropyrancarboxylic Acid; (2S,4S,5R,6R)-5-Acetamido-2-[(4-Azido-2-Nitro-Phenyl)Thio]-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₇H₂₁N₅O₁₀S
• Molecular Weight: 487.44
• CAS Registry Number: 117681-72-8
• SMILES: [N+](=NC2=CC(=C(S[C@@]1(C[C@H](O)[C@H]([C@@H](O1)[C@H](O)[C@H](O)CO)NC(C)=O)C(=O)O)C=C2)[N+](=O)[O-])=[N-]
• InChI: 1S/C17H21N5O10S/c1-7(24)19-13-10(25)5-17(16(28)29,32-15(13)14(27)11(26)6-23)33-12-3-2-8(20-21-18)4-9(12)22(30)31/h2-4,10-11,13-15,23,25-27H,5-6H2,1H3,(H,19,24)(H,28,29)/t10-,11+,13+,14+,15+,17-/m0/s1
• InChIKey: BBOSXYSYGWZQEU-BPOSEPGKSA-N