| CAS Number | 166762-90-9 |
| Catalog Number | AG00ADUO(AGN-PC-0WCX11) |
| Chemical Name | O-[(Guanin-9-yl)methyl] Acyclovir |
| IUPAC Name | 2-amino-9-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethoxymethyl]-1H-purin-6-one |
| InChI | InChI=1S/C14H16N10O4/c15-13-19-9-7(11(25)21-13)17-3-23(9)5-27-1-2-28-6-24-4-18-8-10(24)20-14(16)22-12(8)26/h3-4H,1-2,5-6H2,(H3,15,19,21,25)(H3,16,20,22,26) |
| InChI Key | QPOMYCBJDYQVEA-UHFFFAOYSA-N |
| MDL Number | MFCD31563025 |
| Molecular Formula | C14H16N10O4 |
| Molecular Weight | 388.3414 |
| SMILES | NC1=Nc2c(ncn2COCCOCn3cnc4C(=O)NC(=Nc34)N)C(=O)N1 |
| UNII | F8EGJ10ICV |
| Synonyms | UNII-F8EGJ10ICV,
O-((Guanin-9-yl)methyl) acyclovir,
166762-90-9,
F8EGJ10ICV,
O-[(Guanin-9-yl)methyl] Acyclovir,
Aciclovir impurity J [EP],
DTXSID50168184,
6H-Purin-6-one, 9,9'-(1,2-ethanediylbis(oxymethylene))bis(2-amino-1,9-dihydro-,
9,9'-Ethylenebis(oxymethylene)bis[2-amino-9H-purine-6(1H)-one],
Acyclovir Impurity J,
|
| Complexity | 642 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 388.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 388.348g/mol |
| Monoisotopic Mass | 388.136g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 189A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number