| CAS Number | 102832-10-0 |
| Catalog Number | AG008SO7(AGN-PC-00URKH) |
| Chemical Name | 2'-Deoxyadenosine 3'-monophosphate sodium salt |
| IUPAC Name | sodium;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate |
| InChI | InChI=1S/C10H14N5O6P.Na/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(6(2-16)20-7)21-22(17,18)19;/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19);/q;+1/p-1/t5-,6+,7+;/m0./s1 |
| InChI Key | VJEDEFHDWLJNMU-VWZUFWLJSA-M |
| MDL Number | MFCD00057021 |
| Molecular Formula | C10H13N5NaO6P |
| Molecular Weight | 353.2037 |
| SMILES | C1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)OP(=O)(O)[O-].[Na+] |
| Synonyms | 102832-10-0,
2'-Deoxyadenosine 3'-monophosphate sodium salt,
AKOS015909128,
2'-Deoxyadenosine-3'-monophosphate disodium salt,
I14-33997,
sodium (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl hydrogenphosphate,
|
| Complexity | 464 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.207g/mol |
| Monoisotopic Mass | 353.05g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 169A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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