4-Amino-1-[(2R,4S,5R)-5-(dihydroxyphosphinothioyloxymethyl)-4-hydroxy-oxolan-2-yl]pyrimidin-2-one
[CAS# 115401-96-2]

Identification

• Name: 4-Amino-1-[(2R,4S,5R)-5-(dihydroxyphosphinothioyloxymethyl)-4-hydroxy-oxolan-2-yl]pyrimidin-2-one
• Synonyms: 4-Amino-1-[(2R,4S,5R)-5-(Dihydroxyphosphinothioyloxymethyl)-4-Hydroxy-Tetrahydrofuran-2-Yl]Pyrimidin-2-One; 4-Amino-1-[(2R,4S,5R)-5-(Dihydroxyphosphinothioyloxymethyl)-4-Hydroxy-2-Tetrahydrofuranyl]-2-Pyrimidinone; 4-Amino-1-[(2R,4S,5R)-5-(Dihydroxythiophosphoryloxymethyl)-4-Hydroxy-Tetrahydrofuran-2-Yl]Pyrimidin-2-One
• Molecular Formula: C₉H₁₄N₃O₆PS
• Molecular Weight: 323.26
• CAS Registry Number: 115401-96-2
• SMILES: [C@H]1(O[C@@H]([C@@H](O)C1)CO[P](=S)(O)O)N2C(=O)N=C(N)C=C2
• InChI: 1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-17-19(15,16)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,20)/t5-,6+,8+/m0/s1
• InChIKey: FHBXKBNKQMSUIJ-SHYZEUOFSA-N

Properties

• Density: 1.97g/cm³ (Cal.)
• Boiling point: 628.004°C at 760 mmHg (Cal.)
• Flash point: 333.605°C (Cal.)