Moligand™, ≥97%(T) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,Room temperature Ships Normal 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 8 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504756855 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756855 |
| Canonical Smiles | C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O |
| IUPAC Name | 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
| InChIKey | WDLRUFUQRNWCPK-UHFFFAOYSA-N |
| INCHI | 1S/C16H28N4O8/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28) |
| Isomeric SMILES | C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O |
| WGK Germany | 3 |
| PubChem CID | 121841 |
| Molecular Weight | 404.42 |
| Reaxy-Rn | 1186987 |
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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Tetracarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetracarboxylic acids and derivatives |
| Alternative Parents | Alpha amino acids Trialkylamines Amino acids Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Tetracarboxylic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Amino acid - Organoheterocyclic compound - Carboxylic acid - Azacycle - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. |
| External Descriptors | azamacrocycle |
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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 | Item |
|---|---|---|---|
 D2008036 | Certificate of Analysis | Jan 23, 2024 | T162090 |
| I2304088 | Certificate of Analysis | Sep 08, 2023 | T162090 |
| L2319452 | Certificate of Analysis | Sep 08, 2023 | T162090 |
| F2316095 | Certificate of Analysis | Jun 26, 2023 | T162090 |
| Sensitivity | Air Sensitive |
|---|---|
| Melt Point(°C) | 267°C |
| Molecular Weight | 404.420 g/mol |
| XLogP3 | -10.600 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 8 |
| Exact Mass | 404.191 Da |
| Monoisotopic Mass | 404.191 Da |
| Topological Polar Surface Area | 162.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 447.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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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| 2. Qian Wang, Hao Yan, Yushen Jin, Zihua Wang, Wenhui Huang, Jia Qiu, Feiyu Kang, Kun Wang, Xinming Zhao, Jie Tian. (2018) A novel plectin/integrin-targeted bispecific molecular probe for magnetic resonance/near-infrared imaging of pancreatic cancer. BIOMATERIALS, [PMID:30172243] [10.1016/j.biomaterials.2018.08.048] |
| 3. Yuchen Wang, Shi-Chao Lu, Hui Wen, Chunyue Zhao, Yanfei Jiang, Huaqing Cui. (2024) A CuSO4/Bicinchoninic acid/Reducing sugar based stable and non-ROS catalyst system for the CuAAC reaction in bioanalysis. BIOORGANIC CHEMISTRY, [PMID:38878754] [10.1016/j.bioorg.2024.107557] |
| 4. Tingting Hu, Chuanling Wan, Youyang Zhan, Xiaojing Li, Yan Zheng. (2024) Preparation and performance of biocompatible gadolinium polymer as liver-targeting magnetic resonance imaging contrast agent. JOURNAL OF BIOSCIENCE AND BIOENGINEERING, [PMID:38195341] [10.1016/j.jbiosc.2023.12.017] |
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| 6. Xiaomin Fu, Zhongyuan Cai, Shengxiang Fu, Huawei Cai, Mufeng Li, Haojie Gu, Rongrong Jin, Chunchao Xia, Su Lui, Bin Song, Qiyong Gong, Hua Ai. (2024) Porphyrin-Based Self-Assembled Nanoparticles for PET/MR Imaging of Sentinel Lymph Node Metastasis. ACS Applied Materials & Interfaces, [PMID:38752591] [10.1021/acsami.4c03611] |
| 7. Yan Fu, Nan Lyu, Xia Tang, Ying Wang, Xiaohui Mou, Wentai Zhang, Siwei Yin, Mu Li, Na Bai, Nan Huang, Xin Li, Yifeng Lei, Jun Hou, Zhilu Yang. (2025) Glutathione peroxidase mimic-engineered α-lactalbumin self-assembling coatings tailor immunomodulatory vascular stents for suppressing restenosis. Bioactive Materials, [PMID:41438204] [10.1016/j.bioactmat.2025.11.042] |
| 8. Yuehao Gan, Qiyue Wang, Hui Du, Yuqi Wang, Dao Shi, Longfei Pan, Daishun Ling, Fangyuan Li. (2025) Metal-Ion-Activity Magnetic Nanoprobes for MRI Sensing of Cu2+ Levels in Tumor Malignancy. Small, [PMID:41050990] [10.1002/smll.202507307] |
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