[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [[(2R,3S,4R,5S)-5-(3-Carbamoylphenyl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl] Hydrogen Phosphate
[CAS# 156724-91-3]

Identification

• Name: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [[(2R,3S,4R,5S)-5-(3-Carbamoylphenyl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl] Hydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[(2R,3S,4R,5S)-5-(3-Carbamoylphenyl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [[(2R,3S,4R,5S)-5-(3-Carbamoylphenyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl] Hydrogen Phosphate; [[(2R,3S,4R,5S)-5-(3-Aminocarbonylphenyl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl Hydrogen Phosphate
• Molecular Formula: C₂₂H₂₈N₆O₁₄P₂
• Molecular Weight: 662.44
• CAS Registry Number: 156724-91-3
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)C3=CC(=CC=C3)C(=O)N)(=O)O)(=O)O)[N]4C5=C(N=C4)C(=NC=N5)N
• InChI: 1S/C22H28N6O14P2/c23-19-13-21(26-7-25-19)28(8-27-13)22-17(32)15(30)12(41-22)6-39-44(36,37)42-43(34,35)38-5-11-14(29)16(31)18(40-11)9-2-1-3-10(4-9)20(24)33/h1-4,7-8,11-12,14-18,22,29-32H,5-6H2,(H2,24,33)(H,34,35)(H,36,37)(H2,23,25,26)/t11-,12-,14-,15-,16-,17-,18+,22-/m1/s1
• InChIKey: HNKKJJHKTPALEK-RACQCECLSA-N

Properties

• Density: 2.133g/cm³ (Cal.)
• Boiling point: 1044.199°C at 760 mmHg (Cal.)
• Flash point: 585.311°C (Cal.)