(2S,3S,4S,5R,6S)-6-[5-Amino-2-[(2-Phenylpyrazol-3-Yl)Sulfamoyl]Phenoxy]-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
[CAS# 37393-47-8]

Identification

• Name: (2S,3S,4S,5R,6S)-6-[5-Amino-2-[(2-Phenylpyrazol-3-Yl)Sulfamoyl]Phenoxy]-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6S)-6-[5-Amino-2-[(2-Phenylpyrazol-3-Yl)Sulfamoyl]Phenoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[5-Amino-2-[(2-Phenyl-3-Pyrazolyl)Sulfamoyl]Phenoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[5-Amino-2-[(2-Phenylpyrazol-3-Yl)Sulfamoyl]Phenoxy]-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₂₁H₂₂N₄O₉S
• Molecular Weight: 506.49
• CAS Registry Number: 37393-47-8
• SMILES: [C@@H]4(OC1=CC(=CC=C1[S](=O)(=O)NC2=CC=N[N]2C3=CC=CC=C3)N)O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O
• InChI: 1S/C21H22N4O9S/c22-11-6-7-14(13(10-11)33-21-18(28)16(26)17(27)19(34-21)20(29)30)35(31,32)24-15-8-9-23-25(15)12-4-2-1-3-5-12/h1-10,16-19,21,24,26-28H,22H2,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
• InChIKey: AANCZFPBBIRXRT-ZFORQUDYSA-N

Properties

• Density: 1.73g/cm³ (Cal.)
• Boiling point: 852.561°C at 760 mmHg (Cal.)
• Flash point: 469.412°C (Cal.)