Methyl 1-thio-D-glucofuranosiduronic acid
[CAS# 803634-87-9]

Identification

• Name: Methyl 1-thio-D-glucofuranosiduronic acid
• Synonyms: (2S)-2-((2S,3R,4R)-3,4-dihydroxy-5-(methylthio)tetrahydrofuran-2-yl)-2-hydroxyacetic acid
• Molecular Formula: C₇H₁₂O₆S
• Molecular Weight: 224.23
• CAS Registry Number: 803634-87-9
• SMILES: CSC1[C@@H]([C@H]([C@H](O1)[C@@H](C(=O)O)O)O)O
• InChI: 1S/C7H12O6S/c1-14-7-3(9)2(8)5(13-7)4(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3-,4+,5+,7?/m1/s1
• InChIKey: LXNWGHCNDHODMM-XZKARQSESA-N

Properties

• Density: 1.639g/cm³ (Cal.)
• Boiling point: 549.739°C at 760 mmHg (Cal.)
• Flash point: 286.272°C (Cal.)
• Refractive index: 1.624 (Cal.)