| CAS Number | 81921-35-9 |
| Catalog Number | AG00G6DC(AGN-PC-071DWQ) |
| Chemical Name | N6-METHYLADENOSINE 5'-MONOPHOSPHATE SODIUM SALT |
| IUPAC Name | disodium;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methyl phosphate |
| InChI | InChI=1S/C11H16N5O7P.2Na/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(23-11)2-22-24(19,20)21;;/h3-5,7-8,11,17-18H,2H2,1H3,(H,12,13,14)(H2,19,20,21);;/q;2*+1/p-2/t5-,7-,8-,11-;;/m1../s1 |
| InChI Key | HFOKUKRAZPHTHH-LYYWGVPGSA-L |
| MDL Number | MFCD28098191 |
| Molecular Formula | C11H14N5Na2O7P |
| Molecular Weight | 405.2115 |
| SMILES | CNC1=NC=NC2=C1N=CN2[C@H]3[C@H](O)[C@H](O)[C@@H](COP([O-])([O-])=O)O3.[Na+].[Na+] |
| Synonyms | 81921-35-9,
N6-Methyladenosine 5'-monophosphate sodium salt,
N6-Methyladenosine-5'-monophosphate sodium salt,
6-Me-5'-AMP,
C11H14N5O7P.2Na,
SCHEMBL14358316,
7501AH,
disodium [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methyl phosphate,
|
| Complexity | 484 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 405.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 405.214g/mol |
| Monoisotopic Mass | 405.043g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 178A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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