Ammonium;[[5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [[[5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl] Hydrogen Phosphate
[CAS# 102783-33-5]

Identification

• Name: Ammonium;[[5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [[[5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl] Hydrogen Phosphate
• Synonyms: diguanosine tetraphosphate; G(5′)P4(5′)G
• Molecular Formula: C₂₀H₃₂N₁₁O₂₁P₄
• Molecular Weight: 886.42
• CAS Registry Number: 102783-33-5
• SMILES: O=C6/N=C(/N)Nc1c6ncn1C2OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC5OC(n3cnc4c3NC(=N/C4=O)\N)C(O)C5O.[NH4+]
• InChI: 1S/C20H28N10O21P4.H3N/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(47-17)1-45-52(37,38)49-54(41,42)51-55(43,44)50-53(39,40)46-2-6-10(32)12(34)18(48-6)30-4-24-8-14(30)26-20(22)28-16(8)36;/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H3,21,25,27,35)(H3,22,26,28,36);1H3/p+1
• InChIKey: WDOHMQPAFMGSPZ-UHFFFAOYSA-O

Properties

• Boiling point: 1380.4°C at 760 mmHg (Cal.)
• Flash point: 788.7°C (Cal.)
• Refractive index: (Cal.)