| CAS Number | 91702-60-2 |
| Catalog Number | AG01CBBE(AGN-PC-0VUVS8) |
| Chemical Name | N,O-Diacetate Isoacyclovir |
| IUPAC Name | 2-[(2-acetamido-6-oxo-1H-purin-7-yl)methoxy]ethyl acetate |
| InChI | InChI=1S/C12H15N5O5/c1-7(18)14-12-15-10-9(11(20)16-12)17(5-13-10)6-21-3-4-22-8(2)19/h5H,3-4,6H2,1-2H3,(H2,14,15,16,18,20) |
| InChI Key | SJBOYFXLWONEHK-UHFFFAOYSA-N |
| Molecular Formula | C12H15N5O5 |
| Molecular Weight | 309.2780 |
| SMILES | CC(=O)NC1=Nc2ncn(COCCOC(=O)C)c2C(=O)N1 |
| UNII | Z2CR400A1J |
| Synonyms | UNII-Z2CR400A1J,
91702-60-2,
Z2CR400A1J,
2-((2-Acetamido-6-oxo-1H-purin-7(6H)-yl)methoxy)ethyl acetate,
Acyclovir Impurity M,
AC1MDFSE,
SCHEMBL8444827,
DTXSID90238673,
2-[(2-acetamido-6-oxo-3H-purin-7-yl)methoxy]ethyl acetate,
2-((2-Acetamido-6-oxo-1H-purin-7(6H)-yl)methoxyethyl acetate,
ZINC1800214,
AKOS002313898,
MCULE-4827138856,
N-Acetyl-7-[(2-acetoxyethoxy)methyl]guanine,
ST50323238,
2-{[2-(acetylamino)-6-oxo-1,7-dihydropurin-7-yl]methoxy}ethyl acetate,
ZINC01800214,
CID2788867,
|
| Complexity | 494 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.282g/mol |
| Monoisotopic Mass | 309.107g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number