≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
Remdesivir O-desphosphate acetonide impurity is an impurity of Remdesivir. Remdesivir (GS-5734), a nucleoside analogue with effective antiviral activity and is highly effective in the control of SARS-CoV-2 (COVID-19) infection in vitro.
In Vitro
Remdesivir O-desphosphate acetonide impurity (analogue 21) is a 2′,3′-acetonide protected analogue of Remdesivir. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
| Canonical Smiles | CC1(OC2C(OC(C2O1)(C#N)C3=CC=C4N3N=CN=C4N)CO)C |
|---|---|
| IUPAC Name | (3aR,4R,6R,6aR)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile |
| InChIKey | IJCOKJGMVJGKBB-CGEWXTDFSA-N |
| INCHI | 1S/C15H17N5O4/c1-14(2)23-11-9(5-21)22-15(6-16,12(11)24-14)10-4-3-8-13(17)18-7-19-20(8)10/h3-4,7,9,11-12,21H,5H2,1-2H3,(H2,17,18,19)/t9-,11-,12-,15+/m1/s1 |
| Isomeric SMILES | CC1(O[C@@H]2[C@H](O[C@@]([C@@H]2O1)(C#N)C3=CC=C4N3N=CN=C4N)CO)C |
| Alternate CAS | 1191237-80-5 |
| PubChem CID | 58527338 |
| Molecular Weight | 331.33 |
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 | Pyrrolotriazines |
| Subclass | Pyrrolo[2,1-f][1,2,4]triazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolo[2,1-f][1,2,4]triazines |
| Alternative Parents | Ketals Substituted pyrroles Primary aromatic amines 1,2,4-triazines Imidolactams Monosaccharides 1,3-dioxolanes Heteroaromatic compounds Oxolanes Azacyclic compounds Dialkyl ethers Oxacyclic compounds Nitriles Hydrocarbon derivatives Primary alcohols Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolo[2,1-f][1,2,4]triazine - Ketal - Monosaccharide - Primary aromatic amine - Substituted pyrrole - Triazine - Imidolactam - 1,2,4-triazine - Heteroaromatic compound - Meta-dioxolane - Oxolane - Pyrrole - Oxacycle - Azacycle - Dialkyl ether - Acetal - Ether - Carbonitrile - Nitrile - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Primary alcohol - Cyanide - Primary amine - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolo[2,1-f][1,2,4]triazines. These are aromatic heterocyclic compounds containing a pyrrolo[2,1-f][1,2,4]triazine ring system. Pyrrolo[2,1-f][1,2,4]triazine consists of a 1,2,4-triazine ring fused to and sharing the N2-atom with a pyrrole ring. |
| External Descriptors | Not available |
| Solubility | DMSO : 100 mg/mL (301.81 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 331.330 g/mol |
| XLogP3 | -1.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 331.128 Da |
| Monoisotopic Mass | 331.128 Da |
| Topological Polar Surface Area | 128.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 565.000 |
| 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 |
