(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-oxochromen-7-yl)oxy-oxane-2-carboxylic acid
[CAS# 66695-14-5]

Identification

• Name: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-oxochromen-7-yl)oxy-oxane-2-carboxylic acid
• Synonyms: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-Oxochromen-7-Yl)Oxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2-Oxo-7-Chromenyl)Oxy]-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-Ketochromen-7-Yl)Oxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₅H₁₄O₉
• Molecular Weight: 338.27
• CAS Registry Number: 66695-14-5
• SMILES: [C@H]1(O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O)OC2=CC=C3C(=C2)OC(C=C3)=O
• InChI: 1S/C15H14O9/c16-9-4-2-6-1-3-7(5-8(6)23-9)22-15-12(19)10(17)11(18)13(24-15)14(20)21/h1-5,10-13,15,17-19H,(H,20,21)/t10-,11-,12+,13-,15+/m0/s1
• InChIKey: PRYLPCLGPXGILY-DKBOKBLXSA-N

Properties

• Density: 1.71g/cm³ (Cal.)
• Boiling point: 692.583°C at 760 mmHg (Cal.)
• Flash point: 261.961°C (Cal.)