2,3,4-Trihydroxy-4-(2-Phenyl-2H-1,2,3-Triazol-4-Yl)Butyl 4-Methylbenzenesulfonate
[CAS# 99099-78-2]

Identification

• Name: 2,3,4-Trihydroxy-4-(2-Phenyl-2H-1,2,3-Triazol-4-Yl)Butyl 4-Methylbenzenesulfonate
• Synonyms: 4-Methylbenzenesulfonic Acid [(2S,3R,4R)-2,3,4-Trihydroxy-4-(2-Phenyl-4-Triazolyl)Butyl] Ester; 4-Methylbenzenesulfonic Acid [(2S,3R,4R)-2,3,4-Trihydroxy-4-(2-Phenyltriazol-4-Yl)Butyl] Ester; [(2S,3R,4R)-2,3,4-Trihydroxy-4-(2-Phenyl-1,2,3-Triazol-4-Yl)Butyl
• Molecular Formula: C₁₉H₂₁N₃O₆S
• Molecular Weight: 419.45
• CAS Registry Number: 99099-78-2
• SMILES: [C@H](O)([C@@H](O)CO[S](=O)(=O)C1=CC=C(C=C1)C)[C@H](O)C2=N[N](N=C2)C3=CC=CC=C3
• InChI: 1S/C19H21N3O6S/c1-13-7-9-15(10-8-13)29(26,27)28-12-17(23)19(25)18(24)16-11-20-22(21-16)14-5-3-2-4-6-14/h2-11,17-19,23-25H,12H2,1H3/t17-,18+,19-/m0/s1
• InChIKey: WHXCEDUFWVSHQA-OTWHNJEPSA-N

Properties

• Density: 1.443g/cm³ (Cal.)
• Boiling point: 708.221°C at 760 mmHg (Cal.)
• Flash point: 382.118°C (Cal.)