pentalithium [[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxy-oxido-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
[CAS# 94108-02-8]

Identification

• Name: pentalithium [[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxy-oxido-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
• Synonyms: A(5′)P5(5′)A; AP5A lithium salt' P1,P5-Di(adenosine-5') pentaphosphate pentalithium salt; Diadenosine pentaphosphate pentalithium salt
• Molecular Formula: C₂₀H₂₄Li₅N₁₀O₂₂P₅
• Molecular Weight: 946.03
• CAS Registry Number: 94108-02-8
• EINECS: 302-339-2
• SMILES: [Li+].[Li+].[Li+].[Li+].[Li+].[O-]P(=O)(OC[C@H]3O[C@@H](n1c2ncnc(N)c2nc1)[C@H](O)[C@@H]3O)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
• InChI: 1S/C20H29N10O22P5.5Li/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);;;;;/q;5*+1/p-5/t7-,8-,11-,12-,13-,14-,19-,20-;;;;;/m1...../s1
• InChIKey: UCSIUKZZDLEYFE-CSMIRWGRSA-I

Properties

• Boiling point: 1306°C at 760 mmHg (Cal.)
• Flash point: 743.6°C (Cal.)