| CAS Number | 74925-81-8 |
| Catalog Number | AG005S65(AGN-PC-0OHJWC) |
| Chemical Name | 3’-O-Acetyl-N2-iso-Butyroyl-2’-deoxy-guanosine |
| IUPAC Name | [(2R,3S,5R)-2-(hydroxymethyl)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl] acetate |
| InChI | InChI=1S/C16H21N5O6/c1-7(2)14(24)19-16-18-13-12(15(25)20-16)17-6-21(13)11-4-9(26-8(3)23)10(5-22)27-11/h6-7,9-11,22H,4-5H2,1-3H3,(H2,18,19,20,24,25)/t9-,10+,11+/m0/s1 |
| InChI Key | BRWRDMMDQJQLQS-HBNTYKKESA-N |
| Molecular Formula | C16H21N5O6 |
| Molecular Weight | 379.3678 |
| SMILES | CC(C)C(=O)Nc1nc(=O)c2ncn([C@H]3C[C@H](OC(C)=O)[C@@H](CO)O3)c2[nH]1 |
| Synonyms | CTK2G9546,
74925-81-8,
DTXSID10451943,
AKOS030602629,
N-Isobutyryl-3'-O-acetyl-2'-deoxyguanosine,
CID11014368,
CID 11014368,
Guanosine, 2'-deoxy-N-(2-methyl-1-oxopropyl)-, 3'-acetate,
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| Complexity | 653 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 379.149g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 379.373g/mol |
| Monoisotopic Mass | 379.149g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 144A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number