(1R-(1alpha(Z),2beta(1E,3S*),5alpha))-5-Bromo-2'-Deoxycytidylyl-(5'-3')-2'-DeoxyGuanosine
[CAS# 99635-24-2]

Identification

• Name: (1R-(1alpha(Z),2beta(1E,3S*),5alpha))-5-Bromo-2'-Deoxycytidylyl-(5'-3')-2'-DeoxyGuanosine
• Synonyms: [(3S,5R)-5-(4-Amino-5-Bromo-2-Oxo-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate; [(3S,5R)-5-(4-Amino-5-Bromo-2-Oxo-1-Pyrimidinyl)-3-Hydroxy-2-Tetr
• Molecular Formula: C₁₉H₂₄BrN₈O₁₀P
• Molecular Weight: 635.32
• CAS Registry Number: 99635-24-2
• SMILES: [C@H]3(O[C@@H]([C@@H](O[P](OCC2O[C@@H](N1C(=O)N=C(N)C(=C1)Br)C[C@@H]2O)(=O)O)C3)CO)[N]4C5=C(N=C4)C(=O)N=C(N5)N
• InChI: 1S/C19H24BrN8O10P/c20-7-3-27(19(32)24-15(7)21)12-1-8(30)11(37-12)5-35-39(33,34)38-9-2-13(36-10(9)4-29)28-6-23-14-16(28)25-18(22)26-17(14)31/h3,6,8-13,29-30H,1-2,4-5H2,(H,33,34)(H2,21,24,32)(H3,22,25,26,31)/t8-,9-,10+,11?,12+,13+/m0/s1
• InChIKey: HBRAXSCTBJJBAF-SUTQGLDWSA-N

Properties

• Density: 2.337g/cm³ (Cal.)
• Boiling point: 967.302°C at 760 mmHg (Cal.)
• Flash point: 538.805°C (Cal.)