N(6)-Benzyl-cyclic adenosine 5'-monophosphate
[CAS# 32115-08-5]

Identification

• Name: N(6)-Benzyl-cyclic adenosine 5'-monophosphate
• Synonyms: (1S,6R,8R,9R)-3-Hydroxy-3-Oxo-8-[6-(Phenylmethylamino)-9-Purinyl]-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-9-Ol; (1S,6R,8R,9R)-8-[6-(Benzylamino)Purin-9-Yl]-3-Hydroxy-3-Keto-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-9-Ol; Adenosine, N-(Phenylmethyl)-, Cyclic 3',5'-(Hydrogen Phosphate)
• Molecular Formula: C₁₇H₁₈N₅O₆P
• Molecular Weight: 419.33
• CAS Registry Number: 32115-08-5
• SMILES: [C@H]2(O[C@H]1[C@@H](O[P](OC1)(=O)O)[C@H]2O)[N]3C4=C(N=C3)C(=NC=N4)NCC5=CC=CC=C5
• InChI: 1S/C17H18N5O6P/c23-13-14-11(7-26-29(24,25)28-14)27-17(13)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23H,6-7H2,(H,24,25)(H,18,19,20)/t11-,13-,14-,17-/m1/s1
• InChIKey: GDDBIAMRTVTOBL-LSCFUAHRSA-N

Properties

• Density: 1.864g/cm³ (Cal.)
• Boiling point: 719.773°C at 760 mmHg (Cal.)
• Flash point: 389.105°C (Cal.)