2-(3-Phenoxy-1-propynyl)-Adenosine
(2R,3R,4S,5R)-2-[6-amino-2-(3-phenoxyprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 2-(3-Phenoxy-1-propynyl)-Adenosine|Adenosine, 2-(3-phenoxy-1-propynyl)-|(2R,3R,4S,5R)-2-[6-amino-2-(3-phenoxyprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CAS: 313345-40-3
| Molecular Formula | C19H19N5O5 |
|---|---|
| Molecular Weight | 397.1386 g/mol |
| LogP | -0.5495 |
| Topological Polar Surface Area | 148.77 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.1386 |
| Monoisotopic Mass | 397.1386 |
| Heavy Atoms | 29 |
| Complexity | 1061.2773 |
Chemical Identifiers
| CAS Number | 313345-40-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC#CC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N |
Product Overview
2-(3-Phenoxy-1-propynyl)-Adenosine (CAS 313345-40-3), with molecular formula C19H19N5O5 and molecular weight 397.1386 g/mol. IUPAC: (2R,3R,4S,5R)-2-[6-amino-2-(3-phenoxyprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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