(1S,6R,8R,9R)-8-[6-Amino-8-(2-Hydroxyethylamino)Purin-9-Yl]-3-Hydroxy-3-Oxo-2,4,7-Trioxa-3-Phosphabicyclo[4.3.0]Nonan-9-Ol
[CAS# 33823-17-5]

Identification

• Name: (1S,6R,8R,9R)-8-[6-Amino-8-(2-Hydroxyethylamino)Purin-9-Yl]-3-Hydroxy-3-Oxo-2,4,7-Trioxa-3-Phosphabicyclo[4.3.0]Nonan-9-Ol
• Synonyms: (1S,6R,8R,9R)-8-[6-Amino-8-(2-Hydroxyethylamino)-9-Purinyl]-3-Hydroxy-3-Oxo-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-9-Ol; (1S,6R,8R,9R)-8-[6-Amino-8-(2-Hydroxyethylamino)Purin-9-Yl]-3-Hydroxy-3-Keto-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-9-Ol; 8-Hydroxyethylamino-Cyclic Amp
• Molecular Formula: C₁₂H₁₇N₆O₇P
• Molecular Weight: 388.28
• CAS Registry Number: 33823-17-5
• SMILES: [C@@H]14O[P](OC[C@H]1O[C@@H]([N]2C3=C(N=C2NCCO)C(=NC=N3)N)[C@@H]4O)(=O)O
• InChI: 1S/C12H17N6O7P/c13-9-6-10(16-4-15-9)18(12(17-6)14-1-2-19)11-7(20)8-5(24-11)3-23-26(21,22)25-8/h4-5,7-8,11,19-20H,1-3H2,(H,14,17)(H,21,22)(H2,13,15,16)/t5-,7-,8-,11-/m1/s1
• InChIKey: YMSXKPONFXQTQW-IOSLPCCCSA-N

Properties

• Density: 2.323g/cm³ (Cal.)
• Boiling point: 770.647°C at 760 mmHg (Cal.)
• Flash point: 419.872°C (Cal.)