| CAS Number | 24905-71-3 |
| Catalog Number | AG01CBG5(AGN-PC-0R0MUP) |
| Chemical Name | Guanosine 5′-(tetrahydrogen triphosphate) xsodium salt |
| IUPAC Name | sodium;(2R,3S,4R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-olate |
| InChI | InChI=1S/C10H15N5O14P3.Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21;/h2-3,5-6,9,17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18);/q-1;+1/t3-,5-,6-,9?;/m1./s1 |
| InChI Key | HDKFTQZWDXFRHP-NZDFUMTISA-N |
| MDL Number | MFCD00070013 |
| Molecular Formula | C10H16N5NaO14P3 |
| Molecular Weight | 546.1702 |
| SMILES | O[C@H]1[C@H](n2c3c(nc2)c(=O)[nH]c(n3)N)O[C@@H]([C@H]1O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O.[Na] |
| Synonyms | AC1Q1W1I,
24905-71-3,
sodium(2r,3s,4r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-4-hydroxy-2-{[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]methyl}tetrahydrofuran-3-olate(non-preferred name),
Guanosine 5'-(tetrahydrogen triphosphate), sodium salt,
Sid 745677,
AR-1L5274,
CID168212,
33860-91-2,
|
| Complexity | 933 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 544.973g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 16 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 545.162g/mol |
| Monoisotopic Mass | 544.973g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 298A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number