(2S,3S,4S,5R,6S)-6-[2-Acetamido-5-(4-acetamidophenyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
[CAS# 85559-84-8]

Identification

• Name: (2S,3S,4S,5R,6S)-6-[2-Acetamido-5-(4-acetamidophenyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• Synonyms: (2S,3S,4S,5R,6S)-6-[2-Acetamido-5-(4-Acetamidophenyl)Phenoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[2-Acetamido-5-(4-Acetamidophenyl)Phenoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[2-Acetamido-5-(4-Acetamidophenyl)Phenoxy]-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₂₂H₂₄N₂O₉
• Molecular Weight: 460.44
• CAS Registry Number: 85559-84-8
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)OC2=CC(=CC=C2NC(=O)C)C3=CC=C(NC(=O)C)C=C3
• InChI: 1S/C22H24N2O9/c1-10(25)23-14-6-3-12(4-7-14)13-5-8-15(24-11(2)26)16(9-13)32-22-19(29)17(27)18(28)20(33-22)21(30)31/h3-9,17-20,22,27-29H,1-2H3,(H,23,25)(H,24,26)(H,30,31)/t17-,18-,19+,20-,22+/m0/s1
• InChIKey: MPJJSEHOPYUSQR-SXFAUFNYSA-N

Properties

• Density: 1.526g/cm³ (Cal.)
• Boiling point: 825.19°C at 760 mmHg (Cal.)
• Flash point: 452.859°C (Cal.)