[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [[[(5-Bromo-4-Chloro-1H-Indol-3-Yl)Oxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl] Hydrogen Phosphate
[CAS# 148778-60-3]

Identification

• Name: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [[[(5-Bromo-4-Chloro-1H-Indol-3-Yl)Oxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl] Hydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[[(5-Bromo-4-Chloro-1H-Indol-3-Yl)Oxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [[[(5-Bromo-4-Chloro-1H-Indol-3-Yl)Oxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl [[[(5-Bromo-4-Chloro-1H-Indol-3-Yl)Oxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₁₈H₂₀BrClN₆O₁₆P₄
• Molecular Weight: 815.64
• CAS Registry Number: 148778-60-3
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[P](O[P](OC2=C[NH]C3=C2C(=C(Br)C=C3)Cl)(=O)O)(=O)O)(=O)O)(=O)O)[N]4C5=C(N=C4)C(=NC=N5)N
• InChI: 1S/C18H20BrClN6O16P4/c19-7-1-2-8-11(12(7)20)9(3-22-8)39-44(31,32)41-46(35,36)42-45(33,34)40-43(29,30)37-4-10-14(27)15(28)18(38-10)26-6-25-13-16(21)23-5-24-17(13)26/h1-3,5-6,10,14-15,18,22,27-28H,4H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H2,21,23,24)/t10-,14-,15-,18-/m1/s1
• InChIKey: FUAAYYAFMCNVGN-YVLZZHOMSA-N

Properties

• Density: 2.545g/cm³ (Cal.)
• Boiling point: 1113.423°C at 760 mmHg (Cal.)
• Flash point: 627.176°C (Cal.)