(2S,3S,4S,5R,6S)-6-[[1-[(2,6-Dimethylphenyl)Amino]-1-Oxopropan-2-Yl]Carbamoyloxy]-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
[CAS# 73025-66-8]

Identification

• Name: (2S,3S,4S,5R,6S)-6-[[1-[(2,6-Dimethylphenyl)Amino]-1-Oxopropan-2-Yl]Carbamoyloxy]-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6S)-6-[[2-[(2,6-Dimethylphenyl)Amino]-1-Methyl-2-Oxo-Ethyl]Carbamoyloxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[[[2-[(2,6-Dimethylphenyl)Amino]-1-Methyl-2-Oxoethyl]Amino]-Oxomethoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[[2-[(2,6-Dimethylphenyl)Amino]-2-Keto-1-Methyl-Ethyl]Carbamoyloxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₈H₂₄N₂O₉
• Molecular Weight: 412.40
• CAS Registry Number: 73025-66-8
• SMILES: [C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)OC(NC(C(=O)NC2=C(C=CC=C2C)C)C)=O
• InChI: 1S/C18H24N2O9/c1-7-5-4-6-8(2)10(7)20-15(24)9(3)19-18(27)29-17-13(23)11(21)12(22)14(28-17)16(25)26/h4-6,9,11-14,17,21-23H,1-3H3,(H,19,27)(H,20,24)(H,25,26)/t9?,11-,12-,13+,14-,17-/m0/s1
• InChIKey: CTSRGSCMTKRHQL-IDUZIPGESA-N

Properties

• Density: 1.482g/cm³ (Cal.)
• Boiling point: 712.161°C at 760 mmHg (Cal.)
• Flash point: 384.501°C (Cal.)