(3-Bromo-2-Oxopropyl)Sulfanyl-[[(2R,3S,4R,5R)-5-(3-Carbamoylpyridin-1-Ium-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy]Phosphinate
[CAS# 150035-59-9]

Identification

• Name: (3-Bromo-2-Oxopropyl)Sulfanyl-[[(2R,3S,4R,5R)-5-(3-Carbamoylpyridin-1-Ium-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy]Phosphinate
• Synonyms: (3-Bromo-2-Oxo-Propyl)Sulfanyl-[[(2R,3S,4R,5R)-5-(3-Carbamoylpyridin-1-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy]Phosphinate; [(3-Bromo-2-Oxopropyl)Thio]-[[(2R,3S,4R,5R)-5-(3-Carbamoyl-1-Pyridin-1-Iumyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy]Phosphinate; [(3-Bromo-2-Keto-Propyl)Thio]-[[(2R,3S,4R,5R)-5-(3-Carbamoylpyridin-1-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy]Phosphinate
• Molecular Formula: C₁₄H₁₈BrN₂O₈PS
• Molecular Weight: 485.24
• CAS Registry Number: 150035-59-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](SCC(=O)CBr)([O-])=O)[N+]2=CC(=CC=C2)C(=O)N
• InChI: 1S/C14H18BrN2O8PS/c15-4-9(18)7-27-26(22,23)24-6-10-11(19)12(20)14(25-10)17-3-1-2-8(5-17)13(16)21/h1-3,5,10-12,14,19-20H,4,6-7H2,(H2-,16,21,22,23)/t10-,11-,12-,14-/m1/s1
• InChIKey: QJQJPCXQNNYCCE-HKUMRIAESA-N