≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
6-Thioinosine Phosphate is a metabolite of 6-Mercaptopurine.
| Pubchem Sid | 488194213 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194213 |
| Canonical Smiles | C1=NC(=S)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O |
| IUPAC Name | [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate |
| InChIKey | ZKRFOXLVOKTUTA-KQYNXXCUSA-N |
| INCHI | 1S/C10H13N4O7PS/c15-6-4(1-20-22(17,18)19)21-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)23/h2-4,6-7,10,15-16H,1H2,(H,11,12,23)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1 |
| Isomeric SMILES | C1=NC(=S)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O |
| PubChem CID | 3034391 |
| Molecular Weight | 364.27 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Nucleosides, nucleotides, and analogues |
| Class | Purine nucleotides |
| Subclass | Purine ribonucleotides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Purine ribonucleoside monophosphates |
| Alternative Parents | Pentose phosphates Glycosylamines Purinethiones Monosaccharide phosphates Pyrimidinethiones Monoalkyl phosphates N-substituted imidazoles Tetrahydrofurans Heteroaromatic compounds Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Organosulfur compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Purine ribonucleoside monophosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - Purinethione - Imidazopyrimidine - Purine - Monoalkyl phosphate - Pyrimidinethione - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Pyrimidine - Azole - Heteroaromatic compound - Tetrahydrofuran - Imidazole - Secondary alcohol - 1,2-diol - Oxacycle - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organic oxide - Organopnictogen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached. |
| External Descriptors | purine ribonucleoside 5'-monophosphate - thiopurine |
| Sensitivity | Hygroscopic |
|---|---|
| Melt Point(°C) | 149-155° C (dec.) |
| Molecular Weight | 364.270 g/mol |
| XLogP3 | -2.200 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 364.024 Da |
| Monoisotopic Mass | 364.024 Da |
| Topological Polar Surface Area | 191.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 559.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
D2303006