(2S,3R,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2R,3R,4S,5R)-2,3,4,5-Tetrahydroxy-6-Oxohexoxy]Oxane-2-Carboxylic Acid
[CAS# 109280-58-2]

Identification

• Name: (2S,3R,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2R,3R,4S,5R)-2,3,4,5-Tetrahydroxy-6-Oxohexoxy]Oxane-2-Carboxylic Acid
• Synonyms: (2S,3R,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2R,3R,4S,5R)-2,3,4,5-Tetrahydroxy-6-Oxo-Hexoxy]Tetrahydropyran-2-Carboxylic Acid; (2S,3R,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2R,3R,4S,5R)-2,3,4,5-Tetrahydroxy-6-Oxohexoxy]-2-Tetrahydropyrancarboxylic Acid; (2S,3R,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2R,3R,4S,5R)-2,3,4,5-Tetrahydroxy-6-Keto-Hexoxy]Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₂H₂₀O₁₂
• Molecular Weight: 356.28
• CAS Registry Number: 109280-58-2
• SMILES: [C@H]1([C@H]([C@H]([C@H](O[C@@H]1OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)C(=O)O)O)O)O
• InChI: 1S/C12H20O12/c13-1-3(14)5(16)6(17)4(15)2-23-12-9(20)7(18)8(19)10(24-12)11(21)22/h1,3-10,12,14-20H,2H2,(H,21,22)/t3-,4+,5+,6+,7-,8+,9+,10-,12-/m0/s1
• InChIKey: NBTUEARNKVTGKY-RBAZEOKYSA-N

Properties

• Density: 1.784g/cm³ (Cal.)
• Boiling point: 841.165°C at 760 mmHg (Cal.)
• Flash point: 312.02°C (Cal.)