≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | C1=NC(=C(N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)O |
|---|---|
| IUPAC Name | 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carboxylic acid |
| InChIKey | XFVULMDJZXYMSG-ZIYNGMLESA-N |
| INCHI | 1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/t3-,5-,6-,8-/m1/s1 |
| Isomeric SMILES | C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)O |
| Alternate CAS | 6001-14-5 |
| PubChem CID | 165388 |
| MeSH Entry Terms | 5-amino-1-(5-O-phosphonopentofuranosyl)-1H-imidazole-4-carboxylic acid;5-amino-4-imidazolecarboxylic acid ribonucleotide;AICOR;CAIR;carboxy-AIR;carboxyaminoimidazole ribotide |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Monosaccharides - Pentoses |
| Direct Parent | Pentose phosphates |
| Alternative Parents | Imidazole ribonucleosides and ribonucleotides Glycosylamines Monosaccharide phosphates Carbonylimidazoles Monoalkyl phosphates Aminoimidazoles N-substituted imidazoles Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Secondary alcohols 1,2-diols Amino acids Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pentose phosphate - Pentose-5-phosphate - Imidazole ribonucleoside - N-glycosyl compound - Glycosyl compound - Monosaccharide phosphate - Monoalkyl phosphate - Imidazole-4-carbonyl group - Alkyl phosphate - Phosphoric acid ester - Aminoimidazole - Organic phosphoric acid derivative - N-substituted imidazole - Azole - Vinylogous amide - Tetrahydrofuran - Imidazole - Heteroaromatic compound - 1,2-diol - Secondary alcohol - Amino acid - Amino acid or derivatives - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Organic oxide - Primary amine - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. |
| External Descriptors | 1-(phosphoribosyl)imidazole - aminoimidazole - imidazole-4-carboxylic acid |
| Molecular Weight | 339.200 g/mol |
|---|---|
| XLogP3 | -3.200 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 5 |
| Exact Mass | 339.047 Da |
| Monoisotopic Mass | 339.047 Da |
| Topological Polar Surface Area | 198.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 473.000 |
| 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 |
