[(2S,5R)-5-(2-Amino-8-Bromo-6-Oxo-3H-Purin-9-Yl)-4-Hydroxy-2,5-Dihydrofuran-2-Yl]Methyl (4,5-Dimethoxy-2-Nitrophenyl)Methyl Hydrogen Phosphate
[CAS# 177592-89-1]

Identification

• Name: [(2S,5R)-5-(2-Amino-8-Bromo-6-Oxo-3H-Purin-9-Yl)-4-Hydroxy-2,5-Dihydrofuran-2-Yl]Methyl (4,5-Dimethoxy-2-Nitrophenyl)Methyl Hydrogen Phosphate
• Synonyms: [(2S,5R)-5-(2-Amino-8-Bromo-6-Oxo-3H-Purin-9-Yl)-4-Hydroxy-2,5-Dihydrofuran-2-Yl]Methyl (4,5-Dimethoxy-2-Nitro-Phenyl)Methyl Hydrogen Phosphate; [(2S,5R)-5-(2-Amino-8-Bromo-6-Keto-3H-Purin-9-Yl)-4-Hydroxy-2,5-Dihydrofuran-2-Yl]Methyl (4,5-Dimethoxy-2-Nitro-Benzyl) Hydrogen Phosphate; 4,5-Dimethoxy-2-Nitrobenzyl-8-Bromo-Cgmp
• Molecular Formula: C₁₉H₂₀BrN₆O₁₁P
• Molecular Weight: 619.28
• CAS Registry Number: 177592-89-1
• SMILES: [C@H]1(O[C@@H](C=C1O)CO[P](OCC2=CC(=C(OC)C=C2[N+]([O-])=O)OC)(O)=O)[N]3C4=C(N=C3Br)C(=O)N=C(N4)N
• InChI: 1S/C19H20BrN6O11P/c1-33-12-3-8(10(26(29)30)5-13(12)34-2)6-35-38(31,32)36-7-9-4-11(27)17(37-9)25-15-14(22-18(25)20)16(28)24-19(21)23-15/h3-5,9,17,27H,6-7H2,1-2H3,(H,31,32)(H3,21,23,24,28)/t9-,17+/m0/s1
• InChIKey: BUTRLBCVZQNKNV-HUTHGQBESA-N

Properties

• Density: 2.039g/cm³ (Cal.)
• Boiling point: 908.849°C at 760 mmHg (Cal.)
• Flash point: 503.454°C (Cal.)