| CAS Number | 876708-01-9 |
| Catalog Number | AG00GTYY(AGN-PC-0VFRCF) |
| Chemical Name | 2,4(1H,3H)-PyriMidinedione, 1-(4-C-azido-β-D-arabinofuranosyl)- (9CI) |
| IUPAC Name | 1-[(2R,3S,4S,5R)-5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione |
| InChI | InChI=1S/C9H11N5O6/c10-13-12-9(3-15)6(18)5(17)7(20-9)14-2-1-4(16)11-8(14)19/h1-2,5-7,15,17-18H,3H2,(H,11,16,19)/t5-,6-,7+,9+/m0/s1 |
| InChI Key | FHPJZSIIXUQGQE-XZMZPDFPSA-N |
| MDL Number | MFCD23160111 |
| Molecular Formula | C9H11N5O6 |
| Molecular Weight | 285.2135 |
| SMILES | [C@@]1(N=[N+]=[N-])(CO)O[C@@H](N2C=CC(=O)NC2=O)[C@@H](O)[C@@H]1O |
| Synonyms | Nucleoside-Analog-2,
876708-01-9,
SCHEMBL14188206,
CS-M1996,
ZINC29233377,
NCGC00485878-01,
HY-77652,
2,4(1H,3H)-Pyrimidinedione, 1-(4-C-azido-|A-D-arabinofuranosyl)- 9CI,
CS-4161,
2,4(1H,3H)-Pyrimidinedione, 1-(4-C-azido-,
|
| Complexity | 517 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.216g/mol |
| Monoisotopic Mass | 285.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 134A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | -1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number