Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™,10mg/mL in DMSO 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 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC(=O)OC1C(CNC1CC2=CC=C(C=C2)OC)O |
|---|---|
| IUPAC Name | [(2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] acetate |
| InChIKey | YKJYKKNCCRKFSL-RDBSUJKOSA-N |
| INCHI | 1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m1/s1 |
| Isómeros SMILES | CC(=O)O[C@@H]1[C@H](CN[C@@H]1CC2=CC=C(C=C2)OC)O |
| WGK Alemania | 3 |
| RTECS | BZ9800000 |
| Número ONU | 3462 |
| Peso molecular | 265.3 |
| Beilstein | 20705 |
| Reaxy-Rn | 221005 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=221005&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 | Benzenoids |
| Clase | Phenol ethers |
| Subclass | Anisoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anisoles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Aralkylamines Pyrrolidines Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Pyrrolidine - Amino acid or derivatives - 1,2-aminoalcohol - Carboxylic acid ester - Secondary alcohol - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Organopnictogen compound - Alcohol - Carbonyl group - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. |
| External Descriptors | organonitrogen heterocyclic antibiotic - monohydroxypyrrolidine |
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| Rotación específica [α] | -30° (C=1,MeOH) |
|---|---|
| Punto de fusión (°C) | 144 °C |
| Peso molecular | 265.300 g/mol |
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 265.131 Da |
| Monoisotopic Mass | 265.131 Da |
| Topological Polar Surface Area | 67.800 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 302.000 |
| 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 |
| 1. Hewen Qian, Yuanqing Ding, Xingyu Deng, Weiwei Huang, Zhenzhen Li, Fengling Liu, Jie Zhang, Lihui Wang, Junping Liu, Yaxia Yuan, Shurong Hou, Xiabin Chen, Lei Ma. (2023) Synthesis-accessibility-oriented design of c-Jun N-terminal kinase 1 inhibitor. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, [PMID:37156184] [10.1016/j.ejmech.2023.115442] |
| 2. Bei Sun, Hao Ou, Fei Ren, Yujiao Guan, Ye Huan, Hongwei Cai. (2021) Propofol Protects against Cerebral Ischemia/Reperfusion Injury by Down-Regulating Long Noncoding RNA SNHG14. ACS Chemical Neuroscience, [PMID:34369750] [10.1021/acschemneuro.1c00059] |
| 3. Yi Huang, Fengling Liu, Shuhua Ren, Yuanqing Ding, Man Chi, Weiwei Huang, Wenjing Gu, Hewen Qian, Yaxia Yuan, Shurong Hou, Xiabin Chen, Lei Ma. (2024) Structure Optimization of c-Jun N-terminal Kinase 1 Inhibitors for Treating Idiopathic Pulmonary Fibrosis. JOURNAL OF MEDICINAL CHEMISTRY, [PMID:39303278] [10.1021/acs.jmedchem.4c01764] |
| 4. Ziqi Wang, Ziran Wang, Qi Zhang, Yuanyuan Song, Haoying Zhang, Qin Xu, Jianmin Liao, Yuanyuan Lu. (2026) Adh1-Programmed SNF1 Phosphogradients Decrypt Morphogenesis in Candida albicans: Chemical Interrogation Unveils Hyphal Transition Thresholds. Microbial Biotechnology, 19 (3): (e70321). [PMID:41761399] [10.1111/1751-7915.70321] |
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