5-[[2-Amino-5-O-(Aminocarbonyl)-2,3-Dideoxy-L-Erythro-Pentonoyl]Amino]-1,5-Dideoxy-1-[3,4-Dihydro-5-(Hydroxymethyl)-2,4-Dioxopyrimidin-1(2H)-Yl]-beta-D-Allofuranuronic Acid
[CAS# 22976-88-1]

Identification

• Name: 5-[[2-Amino-5-O-(Aminocarbonyl)-2,3-Dideoxy-L-Erythro-Pentonoyl]Amino]-1,5-Dideoxy-1-[3,4-Dihydro-5-(Hydroxymethyl)-2,4-Dioxopyrimidin-1(2H)-Yl]-beta-D-Allofuranuronic Acid
• Synonyms: 2-[(2-Amino-5-Carbamoyloxy-4-Hydroxy-Pentanoyl)Amino]-2-[3,4-Dihydroxy-5-[5-(Hydroxymethyl)-2,4-Dioxo-Pyrimidin-1-Yl]Tetrahydrofuran-2-Yl]Acetic Acid; 2-[(2-Amino-5-Carbamoyloxy-4-Hydroxy-1-Oxopentyl)Amino]-2-[3,4-Dihydroxy-5-[5-(Hydroxymethyl)-2,4-Dioxo-1-Pyrimidinyl]-2-Tetrahydrofuranyl]Acetic Acid; 2-[(2-Amino-5-Carbamoyloxy-4-Hydroxy-Pentanoyl)Amino]-2-[5-(2,4-Diketo-5-Methylol-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Acetic Acid
• Molecular Formula: C₁₇H₂₅N₅O₁₂
• Molecular Weight: 491.41
• CAS Registry Number: 22976-88-1
• SMILES: C(O)C2=CN(C1OC(C(O)C1O)C(NC(=O)C(N)CC(O)COC(=O)N)C(=O)O)C(=O)NC2=O
• InChI: 1S/C17H25N5O12/c18-7(1-6(24)4-33-16(19)31)13(28)20-8(15(29)30)11-9(25)10(26)14(34-11)22-2-5(3-23)12(27)21-17(22)32/h2,6-11,14,23-26H,1,3-4,18H2,(H2,19,31)(H,20,28)(H,29,30)(H,21,27,32)
• InChIKey: PTLPNIZVMLFTPS-UHFFFAOYSA-N

Properties

• Density: 1.706g/cm³ (Cal.)