| CAS Number | 194159-18-7 |
| Catalog Number | AG00AD6P(AGN-PC-0QMN14) |
| Chemical Name | Ganciclovir Monoproprionate |
| IUPAC Name | [2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] propanoate |
| InChI | InChI=1S/C12H17N5O5/c1-2-8(19)21-4-7(3-18)22-6-17-5-14-9-10(17)15-12(13)16-11(9)20/h5,7,18H,2-4,6H2,1H3,(H3,13,15,16,20) |
| InChI Key | WWWAJZGPKYMTAM-UHFFFAOYSA-N |
| MDL Number | MFCD24386706 |
| Molecular Formula | C12H17N5O5 |
| Molecular Weight | 311.2939 |
| SMILES | C(CC)(=O)OCC(CO)OCN1C=2N=C(NC(C2N=C1)=O)N |
| Synonyms | 194159-18-7,
Ganciclovir Mono-O-propionate,
WWWAJZGPKYMTAM-UHFFFAOYSA-N,
SCHEMBL7619992,
2-((2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy)-3-hydroxypropyl propionate, (2RS)-,
2-(2-Amino-1,6-dihydro-6-oxo-purin-9-yl)methoxy-3-propionyloxy-1-propanol,
UNII-88D0H2WAXF,
88D0H2WAXF,
CID9839709,
[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxy-propyl] Propanoate,
|
| Complexity | 457 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.298g/mol |
| Monoisotopic Mass | 311.123g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 141A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number