(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2R,3S,4S,5R)-3,4,5,6-Tetrahydroxy-1-Oxohexan-2-Yl]Oxyoxane-2-Carboxylic Acid
[CAS# 129568-53-2]

Identification

• Name: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2R,3S,4S,5R)-3,4,5,6-Tetrahydroxy-1-Oxohexan-2-Yl]Oxyoxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6S)-6-[(1R,2S,3S,4R)-1-Formyl-2,3,4,5-Tetrahydroxy-Pentoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[(1R,2S,3S,4R)-1-Formyl-2,3,4,5-Tetrahydroxypentoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2R,3S,4S,5R)-3,4,5,6-Tetrahydroxy-1-Oxo-Hexan-2-Yl]Oxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₂H₂₀O₁₂
• Molecular Weight: 356.28
• CAS Registry Number: 129568-53-2
• SMILES: [C@H]1([C@H]([C@@H]([C@H](O[C@@H]1O[C@H]([C@H]([C@H]([C@@H](CO)O)O)O)C=O)C(O)=O)O)O)O
• InChI: 1S/C12H20O12/c13-1-3(15)5(16)6(17)4(2-14)23-12-9(20)7(18)8(19)10(24-12)11(21)22/h2-10,12-13,15-20H,1H2,(H,21,22)/t3-,4+,5+,6-,7+,8+,9-,10+,12+/m1/s1
• InChIKey: SYZNAVOGLCTGII-OZURMKAVSA-N

Properties

• Density: 1.784g/cm³ (Cal.)
• Boiling point: 850.95°C at 760 mmHg (Cal.)
• Flash point: 315.417°C (Cal.)