2'-O-(N-(2-Aminoethyl)carbamoylethyl)phosphono-NAD
[CAS# 95754-66-8]

Identification

• Name: 2'-O-(N-(2-Aminoethyl)carbamoylethyl)phosphono-NAD
• Synonyms: (2R,3R,4S,5R)-5-[[[[(2R,3R,4R,5R)-4-[[3-(2-Aminoethylamino)-3-Oxo-Propoxy]-Hydroxy-Phosphoryl]Oxy-5-(6-Aminopurin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-2-(3-Carbamoylpyridin-1-Ium-1-Yl)-4-Hydroxy
• Molecular Formula: C₂₆H₃₈N₉O₁₈P₃
• Molecular Weight: 857.56
• CAS Registry Number: 95754-66-8
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O[P](OCCC(=O)NCCN)(=O)O)CO[P](O[P](OC[C@H]3O[C@@H]([N+]2=CC(=CC=C2)C(=O)N)[C@H]([O-])[C@@H]3O)(=O)O)(=O)O)[N]4C5=C(N=C4)C(=NC=N5)N
• InChI: 1S/C26H38N9O18P3/c27-4-5-30-16(36)3-7-47-54(41,42)52-21-19(38)15(51-26(21)35-12-33-17-22(28)31-11-32-24(17)35)10-49-56(45,46)53-55(43,44)48-9-14-18(37)20(39)25(50-14)34-6-1-2-13(8-34)23(29)40/h1-2,6,8,11-12,14-15,18-21,25-26,37-38H,3-5,7,9-10,27H2,(H2,29,
• InChIKey: YQVZUYBHAGANLS-RZIBPTNISA-N