| CAS Number | 148892-91-5 |
| Catalog Number | AG001L9C(AGN-PC-0Q2J9M) |
| Chemical Name | Guanosine 5′-(β,γ-imido)triphosphate trisodium salt |
| IUPAC Name | trisodium;[[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-[[hydroxy(oxido)phosphoryl]amino]phosphinate |
| InChI | InChI=1S/C10H17N6O13P3.3Na/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22;;;/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24);;;/q;3*+1/p-3 |
| InChI Key | QGJNRMUNXAROIT-UHFFFAOYSA-K |
| MDL Number | MFCD00084770 |
| Molecular Formula | C10H14N6Na3O13P3 |
| Molecular Weight | 588.1412 |
| SMILES | O[C@H]1[C@@H](O[C@@H]([C@H]1O)COP(OP(NP([O-])(O)=O)([O-])=O)([O-])=O)N2C3=C(C(N=C(N3)N)=O)N=C2.[Na+].[Na+].[Na+] |
| Synonyms | 148892-91-5,
CTK8F0997,
KS-000019CR,
Guanosine 5a2-[beta,gamma-imido]triphosphate trisodium salt hydrate,
Guanosine 5a(2)-[beta,gamma-imido]triphosphate trisodium salt hydrate,
|
| Complexity | 909 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 587.952g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 16 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 588.142g/mol |
| Monoisotopic Mass | 587.952g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 306A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number