3-Oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(Phenoxy)Oxan-2-Yl]Methoxy]Propanoic Acid
[CAS# 104932-60-7]

Identification

• Name: 3-Oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(Phenoxy)Oxan-2-Yl]Methoxy]Propanoic Acid
• Synonyms: 3-Oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(Phenoxy)Tetrahydropyran-2-Yl]Methoxy]Propanoic Acid; 3-Oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(Phenoxy)-2-Tetrahydropyranyl]Methoxy]Propanoic Acid; 3-Keto-3-[[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(Phenoxy)Tetrahydropyran-2-Yl]Methoxy]Propionic Acid
• Molecular Formula: C₁₅H₁₈O₉
• Molecular Weight: 342.30
• CAS Registry Number: 104932-60-7
• SMILES: [C@H]2(OC1=CC=CC=C1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)COC(CC(=O)O)=O
• InChI: 1S/C15H18O9/c16-10(17)6-11(18)22-7-9-12(19)13(20)14(21)15(24-9)23-8-4-2-1-3-5-8/h1-5,9,12-15,19-21H,6-7H2,(H,16,17)/t9-,12-,13+,14-,15-/m1/s1
• InChIKey: WROCAMQDRXZFKS-SWMGHYKJSA-N

Properties

• Density: 1.51g/cm³ (Cal.)
• Boiling point: 605.198°C at 760 mmHg (Cal.)
• Flash point: 224.819°C (Cal.)