(2S,4S,5R,6R)-5-Acetamido-6-[(1R,2R)-3-Acetyloxy-1,2-Dihydroxypropyl]-2-(4-Aminophenyl)Sulfanyl-4-Hydroxyoxane-2-Carboxylic Acid
[CAS# 146117-12-6]

Identification

• Name: (2S,4S,5R,6R)-5-Acetamido-6-[(1R,2R)-3-Acetyloxy-1,2-Dihydroxypropyl]-2-(4-Aminophenyl)Sulfanyl-4-Hydroxyoxane-2-Carboxylic Acid
• Synonyms: (2S,4S,5R,6R)-5-Acetamido-6-[(1R,2R)-3-Acetoxy-1,2-Dihydroxy-Propyl]-2-(4-Aminophenyl)Sulfanyl-4-Hydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,4S,5R,6R)-5-Acetamido-6-[(1R,2R)-3-Acetoxy-1,2-Dihydroxypropyl]-2-[(4-Aminophenyl)Thio]-4-Hydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,4S,5R,6R)-5-Acetamido-6-[(1R,2R)-3-Acetoxy-1,2-Dihydroxy-Propyl]-2-[(4-Aminophenyl)Thio]-4-Hydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₉H₂₆N₂O₉S
• Molecular Weight: 458.48
• CAS Registry Number: 146117-12-6
• SMILES: [C@@H]1([C@@H]([C@H](C[C@](O1)(SC2=CC=C(N)C=C2)C(=O)O)O)NC(=O)C)[C@@H]([C@H](O)COC(C)=O)O
• InChI: 1S/C19H26N2O9S/c1-9(22)21-15-13(24)7-19(18(27)28,31-12-5-3-11(20)4-6-12)30-17(15)16(26)14(25)8-29-10(2)23/h3-6,13-17,24-26H,7-8,20H2,1-2H3,(H,21,22)(H,27,28)/t13-,14+,15+,16+,17+,19-/m0/s1
• InChIKey: UEZSWYSOYUJCRD-DPIHELBLSA-N

Properties

• Density: 1.506g/cm³ (Cal.)
• Boiling point: 844.55°C at 760 mmHg (Cal.)
• Flash point: 464.567°C (Cal.)