(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(Methyl-Phenylamino)Oxyoxane-2-Carboxylic Acid
[CAS# 121054-06-6]

Identification

• Name: (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(Methyl-Phenylamino)Oxyoxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(Methyl-Phenyl-Amino)Oxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(Methyl-Phenylamino)Oxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(Methyl-Phenyl-Amino)Oxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₃H₁₇NO₇
• Molecular Weight: 299.28
• CAS Registry Number: 121054-06-6
• SMILES: [C@@H]2(C(ON(C1=CC=CC=C1)C)O[C@@H]([C@H]([C@@H]2O)O)C(=O)O)O
• InChI: 1S/C13H17NO7/c1-14(7-5-3-2-4-6-7)21-13-10(17)8(15)9(16)11(20-13)12(18)19/h2-6,8-11,13,15-17H,1H3,(H,18,19)/t8-,9-,10+,11-,13?/m0/s1
• InChIKey: VACCKVAFFPKLAN-NJMOVEGISA-N

Properties

• Density: 1.534g/cm³ (Cal.)
• Boiling point: 532.925°C at 760 mmHg (Cal.)
• Flash point: 276.103°C (Cal.)