| CAS Number | 34308-25-3 |
| Catalog Number | AG00C0LX(AGN-PC-0R9PLO) |
| Chemical Name | 1-Methyladenosine hydroiodide |
| IUPAC Name | 2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolane-3,4-diol;hydroiodide |
| InChI | InChI=1S/C11H15N5O4.HI/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11;/h3-5,7-8,11-12,17-19H,2H2,1H3;1H |
| InChI Key | HRVIETAHBNHGAH-UHFFFAOYSA-N |
| MDL Number | MFCD00058140 |
| Molecular Formula | C11H16IN5O4 |
| Molecular Weight | 409.1803 |
| SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncn(c2=N)C.I |
| Synonyms | 1-Methyladenosine hydriodide,
34308-25-3,
CTK8F3396,
DTXSID00585226,
NSC66391,
NSC91695,
NSC95106,
NSC-66391,
NSC-91695,
NSC-95106,
J-019550,
1-Methyl-9-pentofuranosyl-1,9-dihydro-6H-purin-6-imine--hydrogen iodide (1/1),
|
| Complexity | 433 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 409.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 409.184g/mol |
| Monoisotopic Mass | 409.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number