| CAS Number | 23124-10-9 |
| Catalog Number | AG01AB5L(AGN-PC-00PLA9) |
| Chemical Name | methyl 2-(6-amino-9H-purin-9-yl)acetate |
| IUPAC Name | methyl 2-(6-aminopurin-9-yl)acetate |
| InChI | InChI=1S/C8H9N5O2/c1-15-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-4H,2H2,1H3,(H2,9,10,11) |
| InChI Key | JKGRBHZVHXQFQH-UHFFFAOYSA-N |
| MDL Number | MFCD00847595 |
| Molecular Formula | C8H9N5O2 |
| Molecular Weight | 207.1894 |
| SMILES | COC(CN1C2=C(C(=NC=N2)N)N=C1)=O |
| Synonyms | methyl 2-(6-amino-9H-purin-9-yl)acetate,
23124-10-9,
2-(N9-adeninyl)acetic acid methyl ester,
SCHEMBL6694591,
AC1Q4466,
ZINC34579633,
AKOS010941621,
MCULE-5042909985,
NE32090,
EN300-70530,
Z1263820387,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.193g/mol |
| Monoisotopic Mass | 207.076g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number