≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504773339 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504773339 |
| Canonical Smiles | CC(CN(C)C)O.CC(CN(C)C)O.CC(CN(C)C)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O |
| IUPAC Name | 4-acetamidobenzoic acid;9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;1-(dimethylamino)propan-2-ol |
| InChIKey | YLDCUKJMEKGGFI-QCSRICIXSA-N |
| INCHI | 1S/C10H12N4O5.3C9H9NO3.3C5H13NO/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18;3*1-6(11)10-8-4-2-7(3-5-8)9(12)13;3*1-5(7)4-6(2)3/h2-4,6-7,10,15-17H,1H2,(H,11,12,18);3*2-5H,1H3,(H,10,11)(H,12,13);3*5,7H,4H2,1-3H3/t4-,6-,7-,10-;;;;;;/m1....../s1 |
| Isomeric SMILES | CC(CN(C)C)O.CC(CN(C)C)O.CC(CN(C)C)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
| PubChem CID | 135449284 |
| Molecular Weight | 1115.25 |
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 nucleosides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Purine nucleosides |
| Alternative Parents | Glycosylamines 6-oxopurines Pentoses Hypoxanthines Benzoic acids Benzoyl derivatives Pyrimidones N-substituted imidazoles Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Carboximidic acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Not available |
| Substituents | Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-oxopurine - Pentose monosaccharide - Purinone - Hypoxanthine - Imidazopyrimidine - Benzoic acid or derivatives - Purine - Benzoic acid - Benzoyl - Pyrimidone - Benzenoid - Pyrimidine - N-substituted imidazole - Monocyclic benzene moiety - Monosaccharide - Tetrahydrofuran - Heteroaromatic compound - Imidazole - Azole - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Oxacycle - Azacycle - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Alcohol - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Primary alcohol - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine 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 |
|---|---|---|---|
 B1913038 | Certificate of Analysis | Dec 08, 2022 | I157706 |
| Solubility | Solubility in water: Completely soluble; Soluble in Methanol,Ethanol; Insoluble in Ether |
|---|---|
| Sensitivity | Hygroscopic |
| Specific Rotation[α] | -11° (C=1,H2O) |
| Molecular Weight | 1115.200 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 13 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 14 |
| Exact Mass | 1114.55 Da |
| Monoisotopic Mass | 1114.55 Da |
| Topological Polar Surface Area | 399.000 Ų |
| Heavy Atom Count | 79 |
| Formal Charge | 0 |
| Complexity | 658.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 7 |
| 1. Song Zhu, Jian Li, Ai-Guo Huang, Ji-Qiu Huang, Yong-Quan Huang, Gao-Xue Wang. (2019) Anti-betanodavirus activity of isoprinosine and improved efficacy using carbon nanotubes based drug delivery system. AQUACULTURE, [PMID:] [10.1016/j.aquaculture.2019.734377] |
