(4S,5R,6R)-5-Acetamido-6-[(1R,2S)-3-(4-Azido-2-Nitrophenyl)Sulfanyl-1,2-Dihydroxypropyl]-4-Hydroxy-5,6-Dihydro-4H-Pyran-2-Carboxylic Acid
[CAS# 112848-77-8]

Identification

• Name: (4S,5R,6R)-5-Acetamido-6-[(1R,2S)-3-(4-Azido-2-Nitrophenyl)Sulfanyl-1,2-Dihydroxypropyl]-4-Hydroxy-5,6-Dihydro-4H-Pyran-2-Carboxylic Acid
• Synonyms: (4S,5R,6R)-5-Acetamido-6-[(1R,2S)-3-(4-Azido-2-Nitro-Phenyl)Sulfanyl-1,2-Dihydroxy-Propyl]-4-Hydroxy-5,6-Dihydro-4H-Pyran-2-Carboxylic Acid; (4S,5R,6R)-5-Acetamido-6-[(1R,2S)-3-[(4-Azido-2-Nitrophenyl)Thio]-1,2-Dihydroxypropyl]-4-Hydroxy-5,6-Dihydro-4H-Pyran-2-Carboxylic Acid; (4S,5R,6R)-5-Acetamido-6-[(1R,2S)-3-[(4-Azido-2-Nitro-Phenyl)Thio]-1,2-Dihydroxy-Propyl]-4-Hydroxy-5,6-Dihydro-4H-Pyran-2-Carboxylic Acid
• Molecular Formula: C₁₇H₁₉N₅O₉S
• Molecular Weight: 469.43
• CAS Registry Number: 112848-77-8
• SMILES: [N+](=NC2=CC(=C(SC[C@@H](O)[C@@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(=O)C)C(=O)O)C=C2)[N+]([O-])=O)=[N-]
• InChI: 1S/C17H19N5O9S/c1-7(23)19-14-10(24)5-12(17(27)28)31-16(14)15(26)11(25)6-32-13-3-2-8(20-21-18)4-9(13)22(29)30/h2-5,10-11,14-16,24-26H,6H2,1H3,(H,19,23)(H,27,28)/t10-,11+,14+,15+,16+/m0/s1
• InChIKey: RZQVEPSHNTZKSJ-IQVWLFHZSA-N