[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-(3-Bromo-2-Oxopropyl)Sulfanylphosphinic Acid
[CAS# 144085-39-2]

Identification

• Name: [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-(3-Bromo-2-Oxopropyl)Sulfanylphosphinic Acid
• Synonyms: [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-(3-Bromo-2-Oxo-Propyl)Sulfanyl-Phosphinic Acid; [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-[(3-Bromo-2-Oxopropyl)Thio]Phosphinic Acid; [(2R,3S,4R,5R)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-[(3-Bromo-2-Keto-Propyl)Thio]Phosphinic Acid
• Molecular Formula: C₁₃H₁₇BrN₅O₈PS
• Molecular Weight: 514.24
• CAS Registry Number: 144085-39-2
• SMILES: [C@@H]1(O)[C@H](O)[C@H](O[C@H]1[N]2C3=C(N=C2)C(=O)N=C(N3)N)CO[P](SCC(=O)CBr)(O)=O
• InChI: 1S/C13H17BrN5O8PS/c14-1-5(20)3-29-28(24,25)26-2-6-8(21)9(22)12(27-6)19-4-16-7-10(19)17-13(15)18-11(7)23/h4,6,8-9,12,21-22H,1-3H2,(H,24,25)(H3,15,17,18,23)/t6-,8-,9-,12-/m1/s1
• InChIKey: OZHNVPATUGVHLV-WOUKDFQISA-N

Properties

• Density: 2.315g/cm³ (Cal.)
• Boiling point: 883.209°C at 760 mmHg (Cal.)
• Flash point: 487.947°C (Cal.)