5-[(2-Amino-5-O-Carbamoyl-2-Deoxy-L-Xylonoyl)Amino]-1,5-Dideoxy-1-(4-Formyl-2,3-Dihydro-2-Oxo-1H-Imidazol-1-Yl)-beta-D-Allofuranuronic Acid
[CAS# 37362-29-1]

Identification

• Name: 5-[(2-Amino-5-O-Carbamoyl-2-Deoxy-L-Xylonoyl)Amino]-1,5-Dideoxy-1-(4-Formyl-2,3-Dihydro-2-Oxo-1H-Imidazol-1-Yl)-beta-D-Allofuranuronic Acid
• Synonyms: 2-[(2-Amino-5-Carbamoyloxy-3,4-Dihydroxy-Pentanoyl)Amino]-2-[5-(4-Formyl-2-Oxo-3H-Imidazol-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Acetic Acid; 2-[(2-Amino-5-Carbamoyloxy-3,4-Dihydroxy-1-Oxopentyl)Amino]-2-[5-(4-Formyl-2-Oxo-3H-Imidazol-1-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Acetic Acid; 2-[(2-Amino-5-Carbamoyloxy-3,4-Dihydroxy-Pentanoyl)Amino]-2-[5-(4-Formyl-2-Keto-3H-Imidazol-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Acetic Acid
• Molecular Formula: C₁₆H₂₃N₅O₁₂
• Molecular Weight: 477.38
• CAS Registry Number: 37362-29-1
• SMILES: C(OC(=O)N)C(O)C(O)C(N)C(=O)NC(C2OC(N1C(=O)NC(=C1)C=O)C(O)C2O)C(=O)O
• InChI: 1S/C16H23N5O12/c17-6(8(24)5(23)3-32-15(18)30)12(27)20-7(14(28)29)11-9(25)10(26)13(33-11)21-1-4(2-22)19-16(21)31/h1-2,5-11,13,23-26H,3,17H2,(H2,18,30)(H,19,31)(H,20,27)(H,28,29)
• InChIKey: OSWKWKBETDCHCA-UHFFFAOYSA-N

Properties

• Density: 1.838g/cm³ (Cal.)