≥98%(T) 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1(=O)C(C(=O)NC(=O)N1)(C2(C(=O)NC(=O)NC2=O)O)O.O.O |
|---|---|
| IUPAC Name | 5-hydroxy-5-(5-hydroxy-2,4,6-trioxo-1,3-diazinan-5-yl)-1,3-diazinane-2,4,6-trione;dihydrate |
| InChIKey | BFMIJRCCNVNSBS-UHFFFAOYSA-N |
| INCHI | 1S/C8H6N4O8.2H2O/c13-1-7(19,2(14)10-5(17)9-1)8(20)3(15)11-6(18)12-4(8)16;;/h19-20H,(H2,9,10,13,14,17)(H2,11,12,15,16,18);2*1H2 |
| Isomeric SMILES | C1(=O)C(C(=O)NC(=O)N1)(C2(C(=O)NC(=O)NC2=O)O)O.O.O |
| PubChem CID | 517542 |
| Molecular Weight | 286.16 |
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 | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Pyrimidones |
| Direct Parent | Barbituric acid derivatives |
| Alternative Parents | N-acyl ureas Diazinanes Tertiary alcohols Dicarboximides 1,2-diols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Barbiturate - N-acyl urea - Ureide - 1,3-diazinane - Dicarboximide - Tertiary alcohol - 1,2-diol - Carbonic acid derivative - Urea - Carboxylic acid derivative - Azacycle - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups. |
| External Descriptors | Not available |
| Molecular Weight | 322.190 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 1 |
| Exact Mass | 322.04 Da |
| Monoisotopic Mass | 322.04 Da |
| Topological Polar Surface Area | 193.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 503.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 3 |
