Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥99% Moligand™ 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 39 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
2'-Deoxy-2',2'-difluorocytidine is an irreversible inactivator of R1 and R2 (ribonucleoside diphosphate reductase, RDPR) from Escherichia coli.
Soluble in ethanol (~0.25 mg/ml), DMSO (15 mg/ml at 25 °C), DMF (~0.1 mg/ml), water (<1 mg/ml at 25 °C), and PBS pH 7.2 (~2 mg/ml).
An irreversible inactivator of bacterial ribonucleoside diphosphate reductase.
| Pubchem Sid | 504753715 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504753715 |
| Sourires canoniques | C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F |
| IUPAC Name | 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one |
| InChIKey | SDUQYLNIPVEERB-QPPQHZFASA-N |
| INCHI | 1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1 |
| Isomères SMILES | C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F |
| CAS alternatif | 122111-03-9 |
| Poids moléculaire | 263.2 |
| Reaxy-Rn | 11499718 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11499718&ln= |
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 |
| Classe | Pyrimidine nucleosides |
| Subclass | Pyrimidine 2'-deoxyribonucleosides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidine 2'-deoxyribonucleosides |
| Alternative Parents | Pyrimidones Aminopyrimidines and derivatives Hydropyrimidines Imidolactams Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Fluorohydrins Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organofluorides Organopnictogen compounds Primary alcohols Primary amines Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidine 2'-deoxyribonucleoside - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Tetrahydrofuran - Fluorohydrin - Halohydrin - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Alkyl halide - Organopnictogen compound - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl fluoride - Alcohol - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. These are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2. |
| External Descriptors | organofluorine compound - pyrimidine 2'-deoxyribonucleoside |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Article |
|---|---|---|---|
| Certificate of Analysis | May 16, 2026 | G127944 | |
| Certificate of Analysis | May 16, 2026 | G127944 | |
| Certificate of Analysis | May 16, 2026 | G127944 | |
| Certificate of Analysis | May 16, 2026 | G127944 | |
| Certificate of Analysis | May 16, 2026 | G127944 | |
| Certificate of Analysis | May 16, 2026 | G127944 | |
| Certificate of Analysis | May 16, 2026 | G127944 | |
| Certificate of Analysis | Feb 04, 2026 | G127944 | |
| Certificate of Analysis | Feb 04, 2026 | G127944 | |
| Certificate of Analysis | Jan 21, 2026 | G127944 | |
| Certificate of Analysis | Oct 11, 2025 | G127944 | |
| Certificate of Analysis | Oct 11, 2025 | G127944 | |
| Certificate of Analysis | Oct 11, 2025 | G127944 | |
| Certificate of Analysis | Jun 06, 2025 | G127944 | |
| Certificate of Analysis | Jun 06, 2025 | G127944 | |
| Certificate of Analysis | Jun 06, 2025 | G127944 | |
| Certificate of Analysis | Jun 06, 2025 | G127944 | |
| Certificate of Analysis | Jun 06, 2025 | G127944 | |
| Certificate of Analysis | Jun 06, 2025 | G127944 | |
| Certificate of Analysis | Jun 06, 2025 | G127944 | |
| Certificate of Analysis | Jun 06, 2025 | G127944 | |
| Certificate of Analysis | May 12, 2025 | G127944 | |
| Certificate of Analysis | Mar 05, 2025 | G127944 | |
| Certificate of Analysis | Mar 04, 2025 | G127944 | |
| Certificate of Analysis | Jul 05, 2024 | G127944 | |
| Certificate of Analysis | Jul 05, 2024 | G127944 | |
| Certificate of Analysis | Jul 05, 2024 | G127944 | |
| Certificate of Analysis | Jul 05, 2024 | G127944 | |
| Certificate of Analysis | Jul 05, 2024 | G127944 | |
| Certificate of Analysis | Jul 05, 2024 | G127944 | |
| Certificate of Analysis | Jul 05, 2024 | G127944 | |
| Certificate of Analysis | Apr 03, 2024 | G127944 | |
| Certificate of Analysis | Mar 28, 2024 | G127944 | |
| Certificate of Analysis | Mar 28, 2024 | G127944 | |
| Certificate of Analysis | Mar 28, 2024 | G127944 | |
| Certificate of Analysis | Mar 28, 2024 | G127944 | |
| Certificate of Analysis | Mar 28, 2024 | G127944 | |
| Certificate of Analysis | Mar 28, 2024 | G127944 | |
| Certificate of Analysis | Mar 11, 2024 | G127944 | |
| Certificate of Analysis | Dec 01, 2023 | G127944 | |
| Certificate of Analysis | Sep 19, 2023 | G127944 | |
| Certificate of Analysis | Sep 19, 2023 | G127944 | |
| Certificate of Analysis | Sep 19, 2023 | G127944 | |
| Certificate of Analysis | Sep 19, 2023 | G127944 | |
| Certificate of Analysis | Jan 13, 2023 | G127944 | |
| Certificate of Analysis | Jan 13, 2023 | G127944 | |
| Certificate of Analysis | Jul 18, 2022 | G127944 | |
| Certificate of Analysis | Jun 01, 2022 | G127944 | |
| Certificate of Analysis | Jun 01, 2022 | G127944 | |
| Certificate of Analysis | Jun 01, 2022 | G127944 |
| Solubilité | DMSO 15 mg/mL Water <1 mg/mL Ethanol <1 mg/mL |
|---|---|
| Sensibilité | Heat sensitive |
| Rotation spécifique [α] | 74° (C=1,MeOH) |
| Point de fusion (°C) | 217-222°C |
| Poids moléculaire | 263.200 g/mol |
| XLogP3 | -1.500 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 263.072 Da |
| Monoisotopic Mass | 263.072 Da |
| Topological Polar Surface Area | 108.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 426.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
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