P1,P5-Di(Adenosine-5') Pentaphosphate Ammonium Salt
[CAS# 102783-61-9]

Identification

• Name: P1,P5-Di(Adenosine-5') Pentaphosphate Ammonium Salt
• Synonyms: A(5′)P5(5′)A; A[5']P5[5']AAMMONIUMSALT
• Molecular Formula: C₂₀H₄₄N₁₅O₂₂P₅
• Molecular Weight: 1001.52
• CAS Registry Number: 102783-61-9
• SMILES: O=P(OC[C@H]3O[C@@H](n1c2ncnc(N)c2nc1)[C@H](O)[C@@H]3O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]6O[C@@H](n5cnc4c(ncnc45)N)[C@H](O)[C@@H]6O.N.N.N.N.N
• InChI: 1S/C20H29N10O22P5.5H3N/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)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)(H2,21,23,25)(H2,22,24,26);5*1H3/t7-,8-,11-,12-,13-,14-,19-,20-;;;;;/m1...../s1
• InChIKey: XCOZIAOMHASKGR-CSMIRWGRSA-N

Properties

• Boiling point: 1394.9°C at 760 mmHg (Cal.)
• Flash point: 797.4°C (Cal.)
• Refractive index: (Cal.)