[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl 2-Bromoethyl Hydrogen Phosphate
[CAS# 75203-44-0]

Identification

• Name: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl 2-Bromoethyl Hydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl 2-Bromoethyl Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl 2-Bromoethyl Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl 2-Bromoethyl Hydrogen Phosphate
• Molecular Formula: C₁₂H₁₇BrN₅O₇P
• Molecular Weight: 454.17
• CAS Registry Number: 75203-44-0
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](OCCBr)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C12H17BrN5O7P/c13-1-2-23-26(21,22)24-3-6-8(19)9(20)12(25-6)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,12,19-20H,1-3H2,(H,21,22)(H2,14,15,16)/t6-,8-,9-,12-/m1/s1
• InChIKey: FDNIXZSPWUGXRU-WOUKDFQISA-N

Properties

• Density: 2.231g/cm³ (Cal.)
• Boiling point: 746.794°C at 760 mmHg (Cal.)
• Flash point: 405.447°C (Cal.)