(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-Methylbenzoyl)Oxyoxane-2-Carboxylic Acid
[CAS# 74389-92-7]

Identification

• Name: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-Methylbenzoyl)Oxyoxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-Methylbenzoyl)Oxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2-Methylphenyl)-Oxomethoxy]-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-Methylphenyl)Carbonyloxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₄H₁₆O₈
• Molecular Weight: 312.28
• CAS Registry Number: 74389-92-7
• SMILES: [C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)OC(C2=CC=CC=C2C)=O
• InChI: 1S/C14H16O8/c1-6-4-2-3-5-7(6)13(20)22-14-10(17)8(15)9(16)11(21-14)12(18)19/h2-5,8-11,14-17H,1H3,(H,18,19)/t8-,9-,10+,11-,14-/m0/s1
• InChIKey: WZYNSYXZYYCDLC-JVWRJRKNSA-N

Properties

• Density: 1.55g/cm³ (Cal.)
• Boiling point: 560.726°C at 760 mmHg (Cal.)
• Flash point: 212.07°C (Cal.)