N(6)-Benzoyladenosine 3',5'-cyclic monophosphate
[CAS# 30275-80-0]

Identification

• Name: N(6)-Benzoyladenosine 3',5'-cyclic monophosphate
• Synonyms: N-[9-[(1S,6R,8R,9R)-3,9-Dihydroxy-3-Oxo-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-8-Yl]-6-Purinyl]Benzamide; N-[9-[(1S,6R,8R,9R)-3,9-Dihydroxy-3-Keto-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-8-Yl]Purin-6-Yl]Benzamide; N(6)-Benzoyladenosine 3',5'-Cyclic Monophosphate
• Molecular Formula: C₁₇H₁₆N₅O₇P
• Molecular Weight: 433.32
• CAS Registry Number: 30275-80-0
• SMILES: [C@@H]15O[P](OC[C@H]1O[C@@H]([N]2C3=C(N=C2)C(=NC=N3)NC(=O)C4=CC=CC=C4)[C@@H]5O)(=O)O
• InChI: 1S/C17H16N5O7P/c23-12-13-10(6-27-30(25,26)29-13)28-17(12)22-8-20-11-14(18-7-19-15(11)22)21-16(24)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,17,23H,6H2,(H,25,26)(H,18,19,21,24)/t10-,12-,13-,17-/m1/s1
• InChIKey: NXYCBMGKNCJXIC-CNEMSGBDSA-N

Properties

• Density: 1.95g/cm³ (Cal.)