2-[[1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-4-Oxo-2-Sulfanylidenepyrimidin-5-Yl]Methylamino]Acetic Acid
[CAS# 78173-95-2]

Identification

• Name: 2-[[1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-4-Oxo-2-Sulfanylidenepyrimidin-5-Yl]Methylamino]Acetic Acid
• Synonyms: 2-[[1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-4-Oxo-2-Thioxo-Pyrimidin-5-Yl]Methylamino]Acetic Acid; 2-[[1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-4-Oxo-2-Thioxo-5-Pyrimidinyl]Methylamino]Acetic Acid; 2-[[1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-4-Keto-2-Thioxo-Pyrimidin-5-Yl]Methylamino]Acetic Acid
• Molecular Formula: C₁₂H₁₇N₃O₇S
• Molecular Weight: 347.34
• CAS Registry Number: 78173-95-2
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)N2C(=S)NC(=O)C(=C2)CNCC(=O)O
• InChI: 1S/C12H17N3O7S/c16-4-6-8(19)9(20)11(22-6)15-3-5(1-13-2-7(17)18)10(21)14-12(15)23/h3,6,8-9,11,13,16,19-20H,1-2,4H2,(H,17,18)(H,14,21,23)/t6-,8-,9-,11-/m1/s1
• InChIKey: VKLFQTYNHLDMDP-PNHWDRBUSA-N

Properties

• Density: 1.72g/cm³ (Cal.)