(2S,4S,5R,6R)-5-Acetamido-4-Hydroxy-2-Phenylselanyl-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Oxane-2-Carboxylic Acid
[CAS# 131569-90-9]

Identification

• Name: (2S,4S,5R,6R)-5-Acetamido-4-Hydroxy-2-Phenylselanyl-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Oxane-2-Carboxylic Acid
• Synonyms: (2S,4S,5R,6R)-5-Acetamido-4-Hydroxy-2-Phenylselanyl-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid; (2S,4S,5R,6R)-5-Acetamido-4-Hydroxy-2-(Phenylseleno)-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-2-Tetrahydropyrancarboxylic Acid; (2S,4S,5R,6R)-5-Acetamido-4-Hydroxy-2-(Phenylseleno)-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₇H₂₃NO₈Se
• Molecular Weight: 448.33
• CAS Registry Number: 131569-90-9
• SMILES: [C@@H]1(C[C@](O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)([Se]C2=CC=CC=C2)C(=O)O)O
• InChI: 1S/C17H23NO8Se/c1-9(20)18-13-11(21)7-17(16(24)25,27-10-5-3-2-4-6-10)26-15(13)14(23)12(22)8-19/h2-6,11-15,19,21-23H,7-8H2,1H3,(H,18,20)(H,24,25)/t11-,12+,13+,14+,15+,17-/m0/s1
• InChIKey: WTKIVOYWMLCUAQ-CXECBNLGSA-N

Properties

• Boiling point: 809.177°C at 760 mmHg (Cal.)
• Flash point: 443.174°C (Cal.)