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.
| Canonical Smiles | C1CC(OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=NC3=C2N=C(NC3=O)N |
|---|---|
| IUPAC Name | [[(2S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate |
| InChIKey | HDRRAMINWIWTNU-NTSWFWBYSA-N |
| INCHI | 1S/C10H16N5O12P3/c11-10-13-8-7(9(16)14-10)12-4-15(8)6-2-1-5(25-6)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h4-6H,1-3H2,(H,20,21)(H,22,23)(H2,17,18,19)(H3,11,13,14,16)/t5-,6+/m0/s1 |
| Isomeric SMILES | C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=NC3=C2N=C(NC3=O)N |
| Molecular Weight | 557.13 |
| Reaxy-Rn | 24868356 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24868356&ln= |
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 deoxyribonucleotides |
| Intermediate Tree Nodes | Purine deoxyribonucleoside triphosphates |
| Direct Parent | Purine 2',3'-dideoxyribonucleoside triphosphates |
| Alternative Parents | Purine 2',3'-dideoxyribonucleosides 6-oxopurines Hypoxanthines Pyrimidones Aminopyrimidines and derivatives Monoalkyl phosphates N-substituted imidazoles Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds Primary amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Purine 2',3'-dideoxyribonucleoside triphosphate - Purine 2',3'-dideoxyribonucleoside - Purine nucleoside - 6-oxopurine - Hypoxanthine - Imidazopyrimidine - Purine - Aminopyrimidine - Pyrimidone - Monoalkyl phosphate - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Heteroaromatic compound - Vinylogous amide - Azole - Tetrahydrofuran - Imidazole - Azacycle - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Primary amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as purine 2',3'-dideoxyribonucleoside triphosphates. These are purine nucleotides with triphosphate group linked to the ribose moiety lacking a hydroxyl group at positions 2 and 3. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Solubility | Soluble in water |
|---|---|
| Molecular Weight | 491.180 g/mol |
| XLogP3 | -4.200 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 8 |
| Exact Mass | 491.001 Da |
| Monoisotopic Mass | 491.001 Da |
| Topological Polar Surface Area | 254.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 864.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
