| CAS Number | 2140-25-2 |
| Catalog Number | AG00BE4J(AGN-PC-0O7UQ8) |
| Chemical Name | ((2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl)Methyl Acetate |
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate |
| InChI | InChI=1S/C12H15N5O5/c1-5(18)21-2-6-8(19)9(20)12(22-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,19-20H,2H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1 |
| InChI Key | RMIAANGDAQJRIT-WOUKDFQISA-N |
| MDL Number | MFCD15145176 |
| Molecular Formula | C12H15N5O5 |
| Molecular Weight | 309.2780 |
| SMILES | CC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23 |
| Synonyms | 5'-o-acetyladenosine,
CHEMBL3427691,
2140-25-2,
SCHEMBL219554,
adenosine 5'-methylcarboxamide,
BDBM50085525,
ZINC13547650,
FT-0661127,
((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl acetate,
5'-Acetyladenosine,
5'-O-Acetyl Adenosine,
Adenosine 5'-acetate,
Adenosine 5/'-acetate,
NSC91775,
NSC 91775,
CID11953391,
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| Complexity | 427 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.107319g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.28g/mol |
| Monoisotopic Mass | 309.107319g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 146Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number