≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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=CN(C2=NC=NC(=C21)N)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F |
|---|---|
| IUPAC Name | (2R,3R,4S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol |
| InChIKey | HEMKLVZUSCWYFZ-FBSDJGSXSA-N |
| INCHI | 1S/C11H13FN4O3/c12-7-8(18)6(3-17)19-11(7)16-2-1-5-9(13)14-4-15-10(5)16/h1-2,4,6-8,11,17-18H,3H2,(H2,13,14,15)/t6-,7+,8-,11-/m1/s1 |
| Molecular Weight | 268.240 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolopyrimidines |
| Subclass | Pyrrolo[2,3-d]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolo[2,3-d]pyrimidines |
| Alternative Parents | Aminopyrimidines and derivatives Substituted pyrroles Imidolactams Oxolanes Heteroaromatic compounds Secondary alcohols Fluorohydrins Oxacyclic compounds Azacyclic compounds Primary amines Primary alcohols Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolo[2,3-d]pyrimidine - Aminopyrimidine - Pyrimidine - Substituted pyrrole - Imidolactam - Oxolane - Heteroaromatic compound - Pyrrole - Fluorohydrin - Halohydrin - Secondary alcohol - Oxacycle - Azacycle - Hydrocarbon derivative - Primary amine - Primary alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Alcohol - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions. |
| External Descriptors | Not available |
| Molecular Weight | 268.240 g/mol |
|---|---|
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 268.097 Da |
| Monoisotopic Mass | 268.097 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 337.000 |
| 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 |
![(2R,3R,4S,5R)-5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol - ≥95% CAS No(169516-61-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/R/9/R929534.jpg)