(4S)-2-[6-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-1,3-Benzothiazol-2-Yl]-4,5-Dihydro-1,3-Thiazole-4-Carboxylic Acid
[CAS# 131474-38-9]

Identification

• Name: (4S)-2-[6-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-1,3-Benzothiazol-2-Yl]-4,5-Dihydro-1,3-Thiazole-4-Carboxylic Acid
• Synonyms: (4S)-2-[6-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-1,3-Benzothiazol-2-Yl]-4,5-Dihydrothiazole-4-Carboxylic Acid; (4S)-2-[6-[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-1,3-Benzothiazol-2-Yl]-4,5-Dihydrothiazole-4-Carboxylic Acid; (4S)-2-[6-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-1,3-Benzothiazol-2-Yl]-4,5-Dihydrothiazole-4-Carboxylic Acid
• Molecular Formula: C₁₇H₁₈N₂O₈S₂
• Molecular Weight: 442.46
• CAS Registry Number: 131474-38-9
• SMILES: [C@@H]4(OC2=CC=C1N=C(SC1=C2)C3=N[C@H](CS3)C(=O)O)O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO
• InChI: 1S/C17H18N2O8S2/c20-4-9-11(21)12(22)13(23)17(27-9)26-6-1-2-7-10(3-6)29-15(18-7)14-19-8(5-28-14)16(24)25/h1-3,8-9,11-13,17,20-23H,4-5H2,(H,24,25)/t8-,9-,11+,12+,13-,17-/m1/s1
• InChIKey: OUKXHVUTHGDBNY-VEAFCXQSSA-N

Properties

• Density: 1.948g/cm³ (Cal.)
• Boiling point: 788.303°C at 760 mmHg (Cal.)
• Flash point: 430.55°C (Cal.)