Deoxyfructose L-dopa
[CAS# 81619-12-7]

Identification

• Name: Deoxyfructose L-dopa
• Synonyms: (2S)-3-(3,4-Dihydroxyphenyl)-2-[[(2R,3S,4R,5R)-2,3,4,5-Tetrahydroxytetrahydropyran-2-Yl]Methylamino]Propanoic Acid; (2S)-3-(3,4-Dihydroxyphenyl)-2-[[(2R,3S,4R,5R)-2,3,4,5-Tetrahydroxy-2-Tetrahydropyranyl]Methylamino]Propanoic Acid; (2S)-3-(3,4-Dihydroxyphenyl)-2-[[(2R,3S,4R,5R)-2,3,4,5-Tetrahydroxytetrahydropyran-2-Yl]Methylamino]Propionic Acid
• Molecular Formula: C₁₅H₂₁NO₉
• Molecular Weight: 359.33
• CAS Registry Number: 81619-12-7
• SMILES: [C@@]1(OC[C@@H](O)[C@@H](O)[C@@H]1O)(O)CN[C@@H](CC2=CC=C(O)C(=C2)O)C(=O)O
• InChI: 1S/C15H21NO9/c17-9-2-1-7(4-10(9)18)3-8(14(22)23)16-6-15(24)13(21)12(20)11(19)5-25-15/h1-2,4,8,11-13,16-21,24H,3,5-6H2,(H,22,23)/t8-,11+,12+,13-,15+/m0/s1
• InChIKey: CMJMNLLULOWDQJ-KJXAWDOSSA-N

Properties

• Density: 1.665g/cm³ (Cal.)
• Boiling point: 671.605°C at 760 mmHg (Cal.)
• Flash point: 359.974°C (Cal.)