5-[(2-Amino-5-O-Aminocarbonyl-2-Deoxy-L-Xylonoyl)Amino]-1,5-Dideoxy-1-(1,2,3,4-Tetrahydro-5-Methyl-2,4-Dioxopyrimidin-1-Yl)-beta-D-Allofuranuronic Acid
[CAS# 22976-89-2]

Identification

• Name: 5-[(2-Amino-5-O-Aminocarbonyl-2-Deoxy-L-Xylonoyl)Amino]-1,5-Dideoxy-1-(1,2,3,4-Tetrahydro-5-Methyl-2,4-Dioxopyrimidin-1-Yl)-beta-D-Allofuranuronic Acid
• Synonyms: 2-[(2-Amino-5-Carbamoyloxy-3,4-Dihydroxy-Pentanoyl)Amino]-2-[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Acetic Acid; 2-[(2-Amino-5-Carbamoyloxy-3,4-Dihydroxy-1-Oxopentyl)Amino]-2-[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]Acetic Acid; 2-[(2-Amino-5-Carbamoyloxy-3,4-Dihydroxy-Pentanoyl)Amino]-2-[(2R,3S,4R,5R)-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Acetic Acid
• Molecular Formula: C₁₇H₂₅N₅O₁₂
• Molecular Weight: 491.41
• CAS Registry Number: 22976-89-2
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)C(NC(=O)C(N)C(O)C(O)COC(=O)N)C(=O)O)N2C(=O)NC(=O)C(=C2)C
• InChI: 1S/C17H25N5O12/c1-4-2-22(17(32)21-12(4)27)14-10(26)9(25)11(34-14)7(15(29)30)20-13(28)6(18)8(24)5(23)3-33-16(19)31/h2,5-11,14,23-26H,3,18H2,1H3,(H2,19,31)(H,20,28)(H,29,30)(H,21,27,32)/t5?,6?,7?,8?,9-,10+,11+,14+/m0/s1
• InChIKey: MUIVXLDDXLZVGN-KHZLDBTCSA-N

Properties

• Density: 1.71g/cm³ (Cal.)