≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light Ships Wet ice 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 | CC1CCC(C(C1)OC(=O)C2OC(CS2)N3C=CC(=NC3=O)N)C(C)C |
|---|---|
| IUPAC Name | [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate |
| InChIKey | QMYKWNYBSBURDT-JINKPPJBSA-N |
| INCHI | 1S/C18H27N3O4S/c1-10(2)12-5-4-11(3)8-13(12)24-16(22)17-25-15(9-26-17)21-7-6-14(19)20-18(21)23/h6-7,10-13,15,17H,4-5,8-9H2,1-3H3,(H2,19,20,23)/t11-,12+,13-,15+,17-/m1/s1 |
| Isomeric SMILES | C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2O[C@@H](CS2)N3C=CC(=NC3=O)N)C(C)C |
| PubChem CID | 10091246 |
| Molecular Weight | 381.49 |
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 | Nucleoside and nucleotide analogues |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nucleoside and nucleotide analogues |
| Alternative Parents | Aromatic monoterpenoids Menthane monoterpenoids Monocyclic monoterpenoids Pyrimidones Aminopyrimidines and derivatives Hydropyrimidines Imidolactams Oxathiolanes Heteroaromatic compounds Monothioacetals Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Primary amines Carbonyl compounds Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - P-menthane monoterpenoid - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Imidolactam - Pyrimidine - Heteroaromatic compound - Monothioacetal - Oxathiolane - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Primary amine - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nucleoside and nucleotide analogues. These are analogues of nucleosides and nucleotides. These include phosphonated nucleosides, C-glycosylated nucleoside bases, analogues where the sugar unit is a pyranose, and carbocyclic nucleosides, among others. |
| External Descriptors | Not available |
| Molecular Weight | 381.500 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 381.172 Da |
| Monoisotopic Mass | 381.172 Da |
| Topological Polar Surface Area | 120.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 622.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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 |
