| CAS Number | 151390-97-5 |
| Catalog Number | AG00AL9L(AGN-PC-0O4AGS) |
| Chemical Name | 2′-O-Propargyladenosine |
| IUPAC Name | 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-prop-2-ynoxyoxolan-3-ol |
| InChI | InChI=1S/C13H15N5O4/c1-2-3-21-10-9(20)7(4-19)22-13(10)18-6-17-8-11(14)15-5-16-12(8)18/h1,5-7,9-10,13,19-20H,3-4H2,(H2,14,15,16) |
| InChI Key | ROHGEAZREAFNTO-UHFFFAOYSA-N |
| MDL Number | MFCD09750863 |
| Molecular Formula | C13H15N5O4 |
| Molecular Weight | 305.2893 |
| SMILES | O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N)N=CN=C23)[C@@H]1OCC#C |
| Synonyms | 151390-97-5,
(2R,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-2-(hydroxymethyl)-4-(prop-2-yn-1-yloxy)tetrahydrofuran-3-ol,
Adenosine, 2'-O-2-propynyl-,
ACMC-20n673,
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| Complexity | 443 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.294g/mol |
| Monoisotopic Mass | 305.112g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 129A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
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Certificate of Analysis
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