| CAS Number | 6612-73-3 |
| Catalog Number | AG00FA0Y(AGN-PC-0OFLZD) |
| Chemical Name | 3′-O-Acetyl-2′-deoxyadenosine |
| IUPAC Name | [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate |
| InChI | InChI=1S/C12H15N5O4/c1-6(19)20-7-2-9(21-8(7)3-18)17-5-16-10-11(13)14-4-15-12(10)17/h4-5,7-9,18H,2-3H2,1H3,(H2,13,14,15)/t7-,8+,9+/m0/s1 |
| InChI Key | ORNWXPWLGGXUNT-DJLDLDEBSA-N |
| MDL Number | MFCD00057022 |
| Molecular Formula | C12H15N5O4 |
| Molecular Weight | 293.2786 |
| SMILES | NC1=C2C(N(C=N2)[C@H]3C[C@H](OC(C)=O)[C@@H](CO)O3)=NC=N1 |
| Synonyms | 3'-O-Acetyl-2'-deoxyadenosine,
6612-73-3,
2'-Deoxyadenosine 3'-acetate,
SCHEMBL9466645,
CTK5C3548,
ZINC4513909,
AKOS015912524,
C-44260,
I14-48799,
(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl acetate,
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| Complexity | 398 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.283g/mol |
| Monoisotopic Mass | 293.112g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 125A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number