3',5'-Cyclic deoxyadenylic acid
[CAS 1157-33-1]

Identification

• Name: 3',5'-Cyclic deoxyadenylic acid
• Synonyms: 9-[(1S,6R,8R)-3-Hydroxy-3-Oxo-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-8-Yl]-6-Purinamine; [9-[(1S,6R,8R)-3-Hydroxy-3-Keto-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-8-Yl]Purin-6-Yl]Amine; 2'-Deoxy Cyclic Amp
• Molecular Formula: C₁₀H₁₂N₅O₅P
• Molecular Weight: 313.21
• CAS Registry Number: 1157-33-1
• SMILES: [C@H]2(O[C@H]1[C@@H](O[P](OC1)(=O)O)C2)[N]3C4=C(N=C3)C(=NC=N4)N
• InChI: 1S/C10H12N5O5P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5-6(19-7)2-18-21(16,17)20-5/h3-7H,1-2H2,(H,16,17)(H2,11,12,13)/t5-,6+,7+/m0/s1
• InChIKey: MKMZAENVDZADSW-RRKCRQDMSA-N

Properties

• Density: 2.307g/cm³ (Cal.)
• Boiling point: 628.888°C at 760 mmHg (Cal.)
• Flash point: 334.14°C (Cal.)

References

• (1): Ferrandon et al.. Sustained cyclic AMP production by Parathyroid hormone receptor endocytosis, Nature Chemical Biology, 2009