6-Mercaptopurine ribonucleoside triphosphate

[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Also Known As: Thio-ITP|Thiol ITP|6-Thioinosine-5'-triphosphate|6-Mercaptopurine ribonucleoside triphosphate|6-thioinosine triphosphate|6-Thioinosine-triphosphate|6-Thioinosine 5'-Triphosphate|6-thio-inosine-5'-triphosphate|6-thioadenosine-5'-triphosphate|6-Thioinosine 5 -triphosphate|6-Thioinosine-5 -triphosphate|6-Mercaptopurine-riboside-5'-triphosphate|6-Thioinosine 5 -triphosphoric acid|Inosine 5'-(tetrahydrogen triphosphate), 6-thio-|[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate|6-mercapto-9 beta-ribofuranosylpurine-5'-triphosphate|9-beta-D-Ribofuranosyl-9H-purine-6(1H)-thione 5'-tetrahydrogen triphosphate|9H-Purine-6(1H)-thione, 9-beta-D-ribofuranosyl-, 5'-tetrahydrogen triphosphate|1-Deoxy-1-(6-mercapto-9H-purin-9-yl)-beta-D-ribofuranose 5-triphosphoric acid|(((2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-mercapto-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl)triphosphoric acid|({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanyl-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

Molecular Formula	C10H15N4O13P3S
Molecular Weight	523.9569 g/mol
LogP	-0.54861
Topological Polar Surface Area	256.01 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	12
Rotatable Bonds	8
Exact Mass	523.9569
Monoisotopic Mass	523.9569
Heavy Atoms	31
Complexity	1163.8552

Chemical Identifiers

CAS Number	27652-34-2
SMILES	C1=NC(=S)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O