(2S,3R,4S,5R)-2-Acetamido-3,5-Dihydroxy-1-Oxo-4,6-Disulfooxy-Hexane
[CAS# 52510-51-7]

Identification

• Name: (2S,3R,4S,5R)-2-Acetamido-3,5-Dihydroxy-1-Oxo-4,6-Disulfooxy-Hexane
• Synonyms: [(1R,2R,3R)-3-Acetamido-2-Hydroxy-1-[(1R)-1-Hydroxy-2-Sulfoxy-Ethyl]-4-Keto-Butyl] Hydrogen Sulfate; [(1R,2R,3R)-3-Acetamido-2-Hydroxy-1-[(1R)-1-Hydroxy-2-Sulfooxy-Ethyl]-4-Oxo-Butyl] Hydrogen Sulfate; [(1R,2R,3R)-3-Acetamido-2-Hydroxy-1-[(1R)-1-Hydroxy-2-Sulfooxyethyl]-4-Oxobutyl] Hydrogen Sulfate
• Molecular Formula: C₈H₁₅NO₁₂S₂
• Molecular Weight: 381.33
• CAS Registry Number: 52510-51-7
• SMILES: [C@H](C=O)([C@@H](O)[C@H]([C@H](O)CO[S](=O)(=O)O)O[S](=O)(=O)O)NC(=O)C
• InChI: 1S/C8H15NO12S2/c1-4(11)9-5(2-10)7(13)8(21-23(17,18)19)6(12)3-20-22(14,15)16/h2,5-8,12-13H,3H2,1H3,(H,9,11)(H,14,15,16)(H,17,18,19)/t5-,6+,7+,8-/m0/s1
• InChIKey: JDJXXRJSUJZYDJ-OSMVPFSASA-N

Properties

• Density: 1.814g/cm³ (Cal.)