5-[[2-Amino-5-O-(aminocarbonyl)-2,3-dideoxy-L-erythro-pentonoyl]amino]-1-(5-carboxy-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-1,5-dideoxy-beta-D-Allofuranuronic acid
[CAS# 22976-87-0]

Identification

• Name: 5-[[2-Amino-5-O-(aminocarbonyl)-2,3-dideoxy-L-erythro-pentonoyl]amino]-1-(5-carboxy-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-1,5-dideoxy-beta-D-Allofuranuronic acid
• Synonyms: 1-[(2R,3R,4S,5R)-5-[1-[(2-Amino-5-Carbamoyloxy-4-Hydroxy-Pentanoyl)Amino]-2-Hydroxy-2-Oxo-Ethyl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-2,4-Dioxo-Pyrimidine-5-Carboxylic Acid; 1-[(2R,3R,4S,5R)-5-[1-[(2-Amino-5-Carbamoyloxy-4-Hydroxy-1-Oxopentyl)Amino]-2-Hydroxy-2-Oxoethyl]-3,4-Dihydroxy-2-Tetrahydrofuranyl]-2,4-Dioxo-5-Pyrimidinecarboxylic Acid; 1-[(2R,3R,4S,5R)-5-[1-[(2-Amino-5-Carbamoyloxy-4-Hydroxy-Pentanoyl)Amino]-2-Hydroxy-2-Keto-Ethyl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-2,4-Diketo-Pyrimidine-5-Carboxylic Acid
• Molecular Formula: C₁₇H₂₃N₅O₁₃
• Molecular Weight: 505.39
• CAS Registry Number: 22976-87-0
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)C(NC(=O)C(N)CC(O)COC(=O)N)C(=O)O)N2C(=O)NC(=O)C(=C2)C(=O)O
• InChI: 1S/C17H23N5O13/c18-6(1-4(23)3-34-16(19)32)12(27)20-7(15(30)31)10-8(24)9(25)13(35-10)22-2-5(14(28)29)11(26)21-17(22)33/h2,4,6-10,13,23-25H,1,3,18H2,(H2,19,32)(H,20,27)(H,28,29)(H,30,31)(H,21,26,33)/t4?,6?,7?,8-,9+,10+,13+/m0/s1
• InChIKey: PSMMGZFBBZWLFJ-HQLOUJRVSA-N

Properties

• Density: 1.794g/cm³ (Cal.)