1',2-Dibutyryl-2'-C-Butyryladenosine Phosphate (1:1)
[CAS# 41935-05-1]

Identification

• Name: 1',2-Dibutyryl-2'-C-Butyryladenosine Phosphate (1:1)
• Synonyms: tributyryladenosine monophosphate
• Molecular Formula: C₂₂H₃₄N₅O₁₁P
• Molecular Weight: 575.51
• CAS Registry Number: 41935-05-1
• SMILES: OP(O)(=O)O.CCCC(=O)c1nc(N)c2ncn(c2n1)[C@@]3(O[C@H](CO)[C@@H](O)[C@]3(O)C(=O)CCC)C(=O)CCC
• InChI: 1S/C22H31N5O7.H3O4P/c1-4-7-12(29)19-25-18(23)16-20(26-19)27(11-24-16)22(15(31)9-6-3)21(33,14(30)8-5-2)17(32)13(10-28)34-22;1-5(2,3)4/h11,13,17,28,32-33H,4-10H2,1-3H3,(H2,23,25,26);(H3,1,2,3,4)/t13-,17-,21-,22-;/m1./s1
• InChIKey: WCIPYFVOEMMMEP-FIFVPCCDSA-N

Properties

• Boiling point: 955.5°C at 760 mmHg (Cal.)
• Flash point: 531.6°C (Cal.)