| CAS Number | 16541-19-8 |
| Catalog Number | AG001W55(AGN-PC-0Q8QPR) |
| Chemical Name | (2S,3S,4R,5R)-5-(2-Amino-6-oxo-1H-purin-9(6H)-yl)-4-hydroxy-2-(mercaptomethyl)tetrahydrofuran-3-yl trihydrogen diphosphate |
| IUPAC Name | [(2R,3S,4R,5R)-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate |
| InChI | InChI=1S/C10H15N5O10P2S/c11-10-13-7-4(8(28)14-10)12-2-15(7)9-6(17)5(16)3(24-9)1-23-27(21,22)25-26(18,19)20/h2-3,5-6,9,16-17H,1H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,28)/t3-,5-,6-,9-/m1/s1 |
| InChI Key | IUTNWRFYTFZSEK-UUOKFMHZSA-N |
| MDL Number | MFCD30749008 |
| Molecular Formula | C10H15N5O10P2S |
| Molecular Weight | 459.2661 |
| SMILES | SC[C@@H]1[C@@H](OP(O)(OP(O)(O)=O)=O)[C@H]([C@H](N2C=NC3=C2N=C(N)NC3=O)O1)O |
| Synonyms | 6-thioguanosine 5'-diphosphate,
9-beta-ribofuranosyl-2-amino-6-mercaptopurine 5'-diphosphate,
guanosine 5'-(beta-thio)diphosphate,
p(S)pg,
thioGDP,
6-thioguanosine diphosphate,
6-thioguanosine 5'-diphosphate,
16541-19-8,
6-Thio-GDP,
Thioguanosine 5'-diphosphate,
SCHEMBL1904602,
CHEMBL3638284,
IUTNWRFYTFZSEK-UUOKFMHZSA-N,
6-Thioguanosine-5'-O-diphosphate(6-t-gdp),
Thioguanosine 5/'-diphosphate,
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| Complexity | 765 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 459.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 459.263g/mol |
| Monoisotopic Mass | 459.001g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 263A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number