1-Mercapto-2,2-Di-(Isopropoxycarbonyl)Ethenyl-1-Thioglucosiduronic Acid
[CAS# 99290-96-7]

Identification

• Name: 1-Mercapto-2,2-Di-(Isopropoxycarbonyl)Ethenyl-1-Thioglucosiduronic Acid
• Synonyms: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(3-Isopropoxy-2-Isopropoxycarbonyl-3-Oxo-1-Sulfanyl-Prop-1-Enyl)Sulfanyl-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[3-Isopropoxy-2-(Isopropoxy-Oxomethyl)-1-Mercapto-3-Oxoprop-1-Enyl]Thio]-2-
• Molecular Formula: C₁₆H₂₄O₁₀S₂
• Molecular Weight: 440.48
• CAS Registry Number: 99290-96-7
• SMILES: [C@H]1([C@H]([C@@H]([C@H](O[C@H]1SC(=C(C(OC(C)C)=O)C(=O)OC(C)C)S)C(=O)O)O)O)O
• InChI: 1S/C16H24O10S2/c1-5(2)24-13(22)7(14(23)25-6(3)4)16(27)28-15-10(19)8(17)9(18)11(26-15)12(20)21/h5-6,8-11,15,17-19,27H,1-4H3,(H,20,21)/t8-,9-,10+,11-,15-/m0/s1
• InChIKey: BBFTWLAOGHKVNW-AOVQSLKQSA-N

Properties

• Density: 1.48g/cm³ (Cal.)
• Boiling point: 608.585°C at 760 mmHg (Cal.)
• Flash point: 321.861°C (Cal.)