2-(6-Amino-9H-purin-9-yl)-1-[5-(dimethylamino)-1-naphthyl]-beta-D-ribo-hexos-2-ulofuranosyl phosphate (1:1)
[CAS# 72947-53-6]

Identification

• Name: 2-(6-Amino-9H-purin-9-yl)-1-[5-(dimethylamino)-1-naphthyl]-beta-D-ribo-hexos-2-ulofuranosyl phosphate (1:1)
• Synonyms: (5-(dimethylamino)-1-naphthoyl)adenosine monophosphate
• Molecular Formula: C₂₃H₂₇N₆O₉P
• Molecular Weight: 562.47
• CAS Registry Number: 72947-53-6
• SMILES: O[C@@H]1[C@H](O)[C@@H](CO)O[C@]1(n3cnc2c(N)ncnc23)C(=O)c5cccc4c5cccc4N(C)C.OP(O)(=O)O
• InChI: 1S/C23H24N6O5.H3O4P/c1-28(2)15-8-4-5-12-13(15)6-3-7-14(12)19(32)23(20(33)18(31)16(9-30)34-23)29-11-27-17-21(24)25-10-26-22(17)29;1-5(2,3)4/h3-8,10-11,16,18,20,30-31,33H,9H2,1-2H3,(H2,24,25,26);(H3,1,2,3,4)/t16-,18-,20-,23-;/m1./s1
• InChIKey: FJTLDBPMTXSAOY-XCKFGEJQSA-N

Properties

• Boiling point: 970.8°C at 760 mmHg (Cal.)
• Flash point: 540.9°C (Cal.)