[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-[[[(2R,3S,4R,5R)-5-(4-Carbamoyl-1,3-Selenazol-2-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Methyl]Phosphinic Acid
[CAS# 151868-71-2]

Identification

• Name: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-[[[(2R,3S,4R,5R)-5-(4-Carbamoyl-1,3-Selenazol-2-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Methyl]Phosphinic Acid
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-[[[(2R,3S,4R,5R)-5-(4-Carbamoyl-1,3-Selenazol-2-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Methyl]Phosphinic Acid; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-[[[(2R,3S,4R,5R)-5-(4-Carbamoyl-1,3-Selenazol-2-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Methyl]Phosphinic Acid; [[(2R,3S,4R,5R)-5-(4-Aminocarbonyl-1,3-Selenazol-2-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl]Methyl-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy]Phosphinic Acid
• Molecular Formula: C₂₀H₂₇N₇O₁₃P₂Se
• Molecular Weight: 714.38
• CAS Registry Number: 151868-71-2
• SMILES: [Se]1C(=NC(=C1)C(=O)N)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)CO[P](=O)(O)C[P](OC[C@H]5O[C@@H]([N]3C4=C(N=C3)C(=NC=N4)N)[C@H](O)[C@@H]5O)(=O)O
• InChI: 1S/C20H27N7O13P2Se/c21-16-10-18(24-4-23-16)27(5-25-10)20-14(31)12(29)9(40-20)2-38-42(35,36)6-41(33,34)37-1-8-11(28)13(30)15(39-8)19-26-7(3-43-19)17(22)32/h3-5,8-9,11-15,20,28-31H,1-2,6H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,23,24)/t8-,9-,11-,12-,13-,14-,15-,20-/m1/s1
• InChIKey: BQVYVGJIUMNETO-HVIRUEHBSA-N

Properties

• Boiling point: 1154.126°C at 760 mmHg (Cal.)
• Flash point: 651.792°C (Cal.)