[(2R,3S,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-2-(Phosphonooxymethyl)Oxolan-3-Yl] [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl Hydrogen Phosphate
[CAS# 127067-28-1]

Identification

• Name: [(2R,3S,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-2-(Phosphonooxymethyl)Oxolan-3-Yl] [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl Hydrogen Phosphate
• Synonyms: [(2R,3S,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate; [(2R,3S,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-2-(Phosphonooxymethyl)-3-Tetrahydrofuranyl] [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [(2R,3S,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
• Molecular Formula: C₁₉H₂₆N₈O₁₃P₂
• Molecular Weight: 636.41
• CAS Registry Number: 127067-28-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[C@@H]3[C@H](O[C@@H](N2C(=O)N=C(N)C=C2)C3)CO[P](=O)(O)O)(=O)O)[N]4C5=C(N=C4)C(=NC=N5)N
• InChI: 1S/C19H26N8O13P2/c20-11-1-2-26(19(30)25-11)12-3-8(9(38-12)4-36-41(31,32)33)40-42(34,35)37-5-10-14(28)15(29)18(39-10)27-7-24-13-16(21)22-6-23-17(13)27/h1-2,6-10,12,14-15,18,28-29H,3-5H2,(H,34,35)(H2,20,25,30)(H2,21,22,23)(H2,31,32,33)/t8-,9+,10+,12+,14+,15+,18+/m0/s1
• InChIKey: UUBWXCHLJHRYJT-LNAOLWRRSA-N

Properties

• Density: 2.268g/cm³ (Cal.)
• Boiling point: 1024.708°C at 760 mmHg (Cal.)
• Flash point: 573.523°C (Cal.)