5-[2-(Dimethylamino)-1-naphthoyl]-5-hydroadenosine phosphate (1:3)
[CAS# 72947-54-7]

Identification

• Name: 5-[2-(Dimethylamino)-1-naphthoyl]-5-hydroadenosine phosphate (1:3)
• Synonyms: 5-(dimethylamino-1-naphthoyl)adenosine triphosphate
• Molecular Formula: C₂₃H₃₅N₆O₁₇P₃
• Molecular Weight: 760.48
• CAS Registry Number: 72947-54-7
• SMILES: OP(O)(=O)O.OP(O)(=O)O.OP(O)(=O)O.CN(C)c2ccc1ccccc1c2C(=O)C45/N=C\N([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)\C5=N\C\N=C4\N
• InChI: 1S/C23H26N6O5.3H3O4P/c1-28(2)14-8-7-12-5-3-4-6-13(12)16(14)19(33)23-21(24)25-10-26-22(23)29(11-27-23)20-18(32)17(31)15(9-30)34-20;3*1-5(2,3)4/h3-8,11,15,17-18,20,30-32H,9-10H2,1-2H3,(H2,24,25);3*(H3,1,2,3,4)/t15-,17-,18-,20-,23?;;;/m1.../s1
• InChIKey: NXTWQCSZJSBSJV-DBWDTASNSA-N

Properties

• Boiling point: 1266.7°C at 760 mmHg (Cal.)
• Flash point: 719.9°C (Cal.)