N6-Monobutyryladenosine-3',5'-cyclic monophosphoric acid
[CAS# 13117-60-7]

Identification

• Name: N6-Monobutyryladenosine-3',5'-cyclic monophosphoric acid
• Synonyms: N-[9-[(1S,6R,8R,9R)-3,9-Dihydroxy-3-Oxo-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-8-Yl]-6-Purinyl]Butanamide; N-[9-[(1S,6R,8R,9R)-3,9-Dihydroxy-3-Keto-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-8-Yl]Purin-6-Yl]Butyramide; Adenosine, N-(1-Oxobutyl)-, Cyclic 3',5'-(Hydrogen Phosphate)
• Molecular Formula: C₁₄H₁₈N₅O₇P
• Molecular Weight: 399.30
• CAS Registry Number: 13117-60-7
• SMILES: [C@@H]14O[P](OC[C@H]1O[C@@H]([N]2C3=C(N=C2)C(=NC=N3)NC(=O)CCC)[C@@H]4O)(=O)O
• InChI: 1S/C14H18N5O7P/c1-2-3-8(20)18-12-9-13(16-5-15-12)19(6-17-9)14-10(21)11-7(25-14)4-24-27(22,23)26-11/h5-7,10-11,14,21H,2-4H2,1H3,(H,22,23)(H,15,16,18,20)/t7-,10-,11-,14-/m1/s1
• InChIKey: NVGDLMUKSMHEQT-FRJWGUMJSA-N