| CAS Number | 10470-57-2 |
| Catalog Number | AG0085RQ(AGN-PC-00URTU) |
| Chemical Name | 5′-Guanylyl methylenediphosphonate (sodium) |
| IUPAC Name | [[[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methylphosphonic acid;sodium |
| InChI | InChI=1S/C11H18N5O13P3.Na/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-32(25,26)29-31(23,24)3-30(20,21)22;/h2,4,6-7,10,17-18H,1,3H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,14,15,19); |
| InChI Key | BOCIJVWLZVQKJK-UHFFFAOYSA-N |
| MDL Number | MFCD00070117 |
| Molecular Formula | C11H18N5NaO13P3 |
| Molecular Weight | 544.1974 |
| SMILES | c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)O)[nH]c(nc2=O)N.[Na] |
| Synonyms | 10470-57-2,
CTK8G3956,
DTXSID00585221,
PUBCHEM_16219647,
beta,gamma-Methyleneguanosine 5'-triphosphate sodium salt, >=98% (HPLC),
Guanosine-5 inverted exclamation marka-[(|A,|A)-methyleno]triphosphate sodium salt,
GppCp,
GMPPCP,
beta,gamma-Methyleneguanosine 5'-triphosphate sodium salt,
|A,|A-Methyleneguanosine 5 inverted exclamation marka-triphosphate sodium salt,
|
| Complexity | 927 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 544.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 15 |
| Hydrogen Bond Donor Count | 8 |
| Isotope Atom Count | 0 |
| Molecular Weight | 544.198g/mol |
| Monoisotopic Mass | 544.001g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 286A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number