5-Amino-1,5-Dideoxy-1-(1,2,3,4-Tetrahydro-5-Hydroxymethyl-2,4-Dioxopyrimidin-1-Yl)-beta-D-Allofuranuronic Acid
[CAS# 21027-33-8]

Identification

• Name: 5-Amino-1,5-Dideoxy-1-(1,2,3,4-Tetrahydro-5-Hydroxymethyl-2,4-Dioxopyrimidin-1-Yl)-beta-D-Allofuranuronic Acid
• Synonyms: (2S)-2-Amino-2-[(2R,3S,4R,5R)-3,4-Dihydroxy-5-[5-(Hydroxymethyl)-2,4-Dioxo-Pyrimidin-1-Yl]Tetrahydrofuran-2-Yl]Acetic Acid; (2S)-2-Amino-2-[(2R,3S,4R,5R)-3,4-Dihydroxy-5-[5-(Hydroxymethyl)-2,4-Dioxo-1-Pyrimidinyl]-2-Tetrahydrofuranyl]Acetic Acid; (2S)-2-Amino-2-[(2R,3S,4R,5R)-5-(2,4-Diketo-5-Methylol-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Acetic Acid
• Molecular Formula: C₁₁H₁₅N₃O₈
• Molecular Weight: 317.25
• CAS Registry Number: 21027-33-8
• SMILES: [C@@H]2(O[C@@H](N1C(=O)NC(=O)C(=C1)CO)[C@H](O)[C@@H]2O)[C@H](N)C(=O)O
• InChI: 1S/C11H15N3O8/c12-4(10(19)20)7-5(16)6(17)9(22-7)14-1-3(2-15)8(18)13-11(14)21/h1,4-7,9,15-17H,2,12H2,(H,19,20)(H,13,18,21)/t4-,5-,6+,7+,9+/m0/s1
• InChIKey: TZQKKPBFBDTCRN-AJDRIWCOSA-N

Properties

• Density: 1.785g/cm³ (Cal.)