P1,P6-Di(adenosine-5') hexaphosphate ammonium salt
[CAS# 102783-34-6]

Identification

• Name: P1,P6-Di(adenosine-5') hexaphosphate ammonium salt
• Synonyms: A(5′)P6(5′)A; diadenosine hexaphosphate
• Molecular Formula: C₂₀H₃₃N₁₁O₂₅P₆
• Molecular Weight: 1013.38
• CAS Registry Number: 102783-34-6
• SMILES: O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O.N
• InChI: 1S/C20H30N10O25P6.H3N/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(49-19)1-47-56(35,36)51-58(39,40)53-60(43,44)55-61(45,46)54-59(41,42)52-57(37,38)48-2-8-12(32)14(34)20(50-8)30-6-28-10-16(22)24-4-26-18(10)30;/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,21,23,25)(H2,22,24,26);1H3
• InChIKey: BTBTYNDBLNVPCA-UHFFFAOYSA-N

Properties

• Boiling point: 1376.6°C at 760 mmHg (Cal.)
• Flash point: 786.4°C (Cal.)
• Refractive index: (Cal.)