(2S,3S,4S,5R,6S)-6-[2-[(2,3-Dimethylphenyl)Amino]Benzoyl]Oxy-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
[CAS# 102623-18-7]

Identification

• Name: (2S,3S,4S,5R,6S)-6-[2-[(2,3-Dimethylphenyl)Amino]Benzoyl]Oxy-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6S)-6-[2-[(2,3-Dimethylphenyl)Amino]Benzoyl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[[2-[(2,3-Dimethylphenyl)Amino]Phenyl]-Oxomethoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[2-[(2,3-Dimethylphenyl)Amino]Phenyl]Carbonyloxy-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₂₁H₂₃NO₈
• Molecular Weight: 417.41
• CAS Registry Number: 102623-18-7
• SMILES: [C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)OC(C2=CC=CC=C2NC3=CC=CC(=C3C)C)=O
• InChI: 1S/C21H23NO8/c1-10-6-5-9-13(11(10)2)22-14-8-4-3-7-12(14)20(28)30-21-17(25)15(23)16(24)18(29-21)19(26)27/h3-9,15-18,21-25H,1-2H3,(H,26,27)/t15-,16-,17+,18-,21-/m0/s1
• InChIKey: DAHIGOGKMFBIOR-CURYNPBISA-N

Properties

• Density: 1.475g/cm³ (Cal.)
• Boiling point: 664.624°C at 760 mmHg (Cal.)
• Flash point: 355.752°C (Cal.)