Methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-methylsulfanyloxane-2-carboxylate
[CAS# 29587-10-8]

Identification

• Name: Methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-methylsulfanyloxane-2-carboxylate
• Synonyms: METHYL(METHYL1-THIO-2,3,4-TRI-O-ACETYL-β-D-GLUCOPYRANOSID)-URONATE
• Molecular Formula: C₁₄H₂₀O₉S
• Molecular Weight: 364.37
• CAS Registry Number: 29587-10-8
• SMILES: CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)SC)C(=O)OC)OC(=O)C
• InChI: 1S/C14H20O9S/c1-6(15)20-9-10(21-7(2)16)12(22-8(3)17)14(24-5)23-11(9)13(18)19-4/h9-12,14H,1-5H3/t9-,10-,11-,12+,14-/m0/s1
• InChIKey: HHAWIPPOHLEARU-GCQYFTOKSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 418.0±45.0°C at 760 mmHg (Cal.)
• Flash point: 194.7±16.7°C (Cal.)
• Refractive index: 1.504 (Cal.)