4-Amino-1-(2-Deoxy-beta-L-Erythro-Pentofuranosyl)-2(1H)-Pyrimidinone
[CAS# 40093-94-5]

Identification

• Name: 4-Amino-1-(2-Deoxy-beta-L-Erythro-Pentofuranosyl)-2(1H)-Pyrimidinone
• Synonyms: 4-Amino-1-[(2S,4R,5S)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Pyrimidin-2-One; 4-Amino-1-[(2S,4R,5S)-4-Hydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-2-Pyrimidinone; 4-Amino-1-[(2S,4R,5S)-4-Hydroxy-5-Methylol-Tetrahydrofuran-2-Yl]Pyrimidin-2-One
• Molecular Formula: C₉H₁₃N₃O₄
• Molecular Weight: 227.22
• CAS Registry Number: 40093-94-5
• SMILES: [C@H]2(N1C=CC(=NC1=O)N)O[C@H]([C@@H](C2)O)CO
• InChI: 1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m1/s1
• InChIKey: CKTSBUTUHBMZGZ-CHKWXVPMSA-N

Properties

• Density: 1.733g/cm³ (Cal.)
• Boiling point: 497.625°C at 760 mmHg (Cal.)
• Flash point: 254.754°C (Cal.)