Adenosine5'-(trihydrogen diphosphate), P'-5'-ester with 3-carboxy-1-b-D-ribofuranosylpyridinium inner salt monosodium salt
[CAS# 104809-30-5]

Identification

• Name: Adenosine5'-(trihydrogen diphosphate), P'-5'-ester with 3-carboxy-1-b-D-ribofuranosylpyridinium inner salt monosodium salt
• Synonyms: DEAMIDONADSODIUMSALT
• Molecular Formula: C₂₁H₂₅N₆NaO₁₅P₂
• Molecular Weight: 686.39
• CAS Registry Number: 104809-30-5
• SMILES: c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O.[Na+]
• InChI: 1S/C21H26N6O15P2.Na/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33;/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37);/q;+1/p-1/t10-,11-,13-,14-,15-,16-,19-,20-;/m1./s1
• InChIKey: LFHLUTZTSGEADU-RHANTIMGSA-M

Properties

• Refractive index: (Cal.)