| CAS Number | 1343364-54-4 |
| Catalog Number | AG01E171(AGN-PC-0WP098) |
| Chemical Name | α,β-Methyleneadenosine5’-TriphosphateTrisodiumSalt |
| IUPAC Name | trisodium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[hydroxy(oxido)phosphoryl]oxy-oxidophosphoryl]methyl]phosphinate |
| InChI | InChI=1S/C11H18N5O12P3.3Na/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25;;;/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25);;;/q;3*+1/p-3/t5-,7-,8-,11-;;;/m1.../s1 |
| InChI Key | CBAGKCWFSRTVER-MTQUBGKESA-K |
| MDL Number | MFCD28137701 |
| Molecular Formula | C11H15N5Na3O12P3 |
| Molecular Weight | 571.1537 |
| SMILES | O[C@H]1[C@@H](O)[C@H](N2C=NC3=C2N=CN=C3N)O[C@@H]1COP(CP(OP(O)([O-])=O)([O-])=O)([O-])=O.[Na+].[Na+].[Na+] |
| Synonyms | 1343364-54-4,
ALPHA,BETA-METHYLENEADENOSINE 5'-TRIPHOSPHATE TRISODIUM SALT,
AKOS024457480,
alpha,beta-Methyleneadenosine5'-TriphosphateTrisodiumSalt,
CBAGKCWFSRTVER-MTQUBGKESA-K,
?,?-Methyleneadenosine 5'-triphosphate trisodium salt,
|
| Complexity | 781 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 570.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 16 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 571.155g/mol |
| Monoisotopic Mass | 570.962g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 278A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number