1-Desoxyfructo-alpha,beta-Dehydro-4,5-Dioxotryptamine
[CAS# 82695-94-1]

Identification

• Name: 1-Desoxyfructo-alpha,beta-Dehydro-4,5-Dioxotryptamine
• Synonyms: 3-[(E)-2-[[(2R,3S,4R,5R)-2,3,4,5-Tetrahydroxytetrahydropyran-2-Yl]Methylamino]Vinyl]-1H-Indole-4,5-Dione; 3-[(E)-2-[[(2R,3S,4R,5R)-2,3,4,5-Tetrahydroxy-2-Tetrahydropyranyl]Methylamino]Vinyl]-1H-Indole-4,5-Dione; 3-[(E)-2-[[(2R,3S,4R,5R)-2,3,4,5-Tetrahydroxytetrahydropyran-2-Yl]Methylamino]Vinyl]-1H-Indole-4,5-Quinone
• Molecular Formula: C₁₆H₁₈N₂O₇
• Molecular Weight: 350.33
• CAS Registry Number: 82695-94-1
• SMILES: [C@@]3(CN/C=C/C1=C[NH]C2=C1C(C(C=C2)=O)=O)(OC[C@H]([C@H]([C@@H]3O)O)O)O
• InChI: 1S/C16H18N2O7/c19-10-2-1-9-12(13(10)21)8(5-18-9)3-4-17-7-16(24)15(23)14(22)11(20)6-25-16/h1-5,11,14-15,17-18,20,22-24H,6-7H2/b4-3+/t11-,14-,15+,16-/m1/s1
• InChIKey: LLGJQUQOLNBXBT-MXWIPWLSSA-N

Properties

• Density: 1.664g/cm³ (Cal.)
• Boiling point: 726.298°C at 760 mmHg (Cal.)
• Flash point: 393.051°C (Cal.)