2-Hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Amino]Benzoic Acid
[CAS# 123135-21-7]

Identification

• Name: 2-Hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Amino]Benzoic Acid
• Synonyms: 2-Hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Amino]Benzoic Acid; 2-Hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Amino]Benzoic Acid; 2-Hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Amino]Benzoic Acid
• Molecular Formula: C₁₃H₁₇NO₈
• Molecular Weight: 315.28
• CAS Registry Number: 123135-21-7
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)NC2=CC=C(O)C(=C2)C(=O)O
• InChI: 1S/C13H17NO8/c15-4-8-9(17)10(18)11(19)12(22-8)14-5-1-2-7(16)6(3-5)13(20)21/h1-3,8-12,14-19H,4H2,(H,20,21)/t8-,9-,10+,11-,12-/m1/s1
• InChIKey: SJRWBGQWNUAGPK-RMPHRYRLSA-N

Properties

• Density: 1.724g/cm³ (Cal.)
• Boiling point: 671.05°C at 760 mmHg (Cal.)
• Flash point: 359.638°C (Cal.)