| Pubchem Sid | 504757443 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757443 |
| Canonical Smiles | C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)I |
| IUPAC Name | 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one |
| InChIKey | LQQGJDJXUSAEMZ-UAKXSSHOSA-N |
| INCHI | 1S/C9H12IN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1 |
| Isomeric SMILES | C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)I |
| Molecular Weight | 369.11 |
| Reaxy-Rn | 25443342 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25443342&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 | Pyrimidine nucleosides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidine nucleosides |
| Alternative Parents | Glycosylamines Pentoses Pyrimidones Halopyrimidines Aminopyrimidines and derivatives Imidolactams Hydropyrimidines Aryl iodides Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Organoiodides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidine nucleoside - N-glycosyl compound - Glycosyl compound - Pentose monosaccharide - Pyrimidone - Halopyrimidine - Aminopyrimidine - Imidolactam - Pyrimidine - Monosaccharide - Hydropyrimidine - Aryl iodide - Aryl halide - Heteroaromatic compound - Tetrahydrofuran - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Amine - Alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidine nucleosides. These are compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I1423111 | Certificate of Analysis | Apr 15, 2026 | I122936 |
| E1407041 | Certificate of Analysis | Jan 05, 2026 | I122936 |
| K2201402 | Certificate of Analysis | Aug 17, 2022 | I122936 |
| K2201403 | Certificate of Analysis | Aug 17, 2022 | I122936 |
| K2201458 | Certificate of Analysis | Aug 17, 2022 | I122936 |
| Sensitivity | Light Sensitive |
|---|---|
| Molecular Weight | 369.110 g/mol |
| XLogP3 | -1.700 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 368.982 Da |
| Monoisotopic Mass | 368.982 Da |
| Topological Polar Surface Area | 129.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 426.000 |
| 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 |
