| CAS Number | 104291-17-0 |
| Catalog Number | AG008SL4(AGN-PC-0OT6L8) |
| Chemical Name | 7-Deaza-4-Cl-2’-dG |
| IUPAC Name | (2R,3S,5S)-5-(2-amino-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol |
| InChI | InChI=1S/C11H13ClN4O3/c12-9-5-1-2-16(10(5)15-11(13)14-9)8-3-6(18)7(4-17)19-8/h1-2,6-8,17-18H,3-4H2,(H2,13,14,15)/t6-,7+,8-/m0/s1 |
| InChI Key | BZICGWWJWKJNCN-RNJXMRFFSA-N |
| MDL Number | MFCD01631016 |
| Molecular Formula | C11H13ClN4O3 |
| Molecular Weight | 284.6989 |
| SMILES | ClC1=C2C(N(C=C2)[C@@]3(O[C@H](CO)[C@@H](O)C3)[H])=NC(N)=N1 |
| Synonyms | 7-Deaza-4-Cl-2'-dG,
104291-17-0,
2-AMINO-4-CHLORO-7-(BETA-D-2-DEOXYRIBOFURANOSYL)PYRROLO-[2,3-D]PYRIMIDINE,
ZINC169748262,
AX8294822,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.7g/mol |
| Monoisotopic Mass | 284.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number