N(1),O(2)-Dioctanoyl Cyclic Amp
[CAS# 57329-09-6]

Identification

• Name: N(1),O(2)-Dioctanoyl Cyclic Amp
• Synonyms: Octanoic Acid [(1R,6R,8R,9R)-3-Hydroxy-3-Oxo-8-[6-(1-Oxooctylamino)-9-Purinyl]-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-9-Yl] Ester; Caprylic Acid [(1R,6R,8R,9R)-8-[6-(Caprylylamino)Purin-9-Yl]-3-Hydroxy-3-Keto-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-9-Yl] Ester; Adenosine, N-(1-Oxooctyl)-, Cyclic 3',5'-(Hydrogen Phosphate)-2'-Octanoate
• Molecular Formula: C₂₆H₄₀N₅O₈P
• Molecular Weight: 581.60
• CAS Registry Number: 57329-09-6
• SMILES: [C@H]2(O[C@H]1[C@@H](O[P](OC1)(=O)O)[C@H]2OC(=O)CCCCCCC)[N]3C4=C(N=C3)C(=NC=N4)NC(=O)CCCCCCC
• InChI: 1S/C26H40N5O8P/c1-3-5-7-9-11-13-19(32)30-24-21-25(28-16-27-24)31(17-29-21)26-23(38-20(33)14-12-10-8-6-4-2)22-18(37-26)15-36-40(34,35)39-22/h16-18,22-23,26H,3-15H2,1-2H3,(H,34,35)(H,27,28,30,32)/t18-,22-,23-,26-/m1/s1
• InChIKey: QZSIVKGCDJARRY-HATPXFROSA-N

Properties

• Density: 1.455g/cm³ (Cal.)