≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| Canonical Smiles | CC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)O)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C(=C4)C)O)CN(CC(=O)O)CC(=O)O |
|---|---|
| IUPAC Name | 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid |
| InChIKey | IYZPEGVSBUNMBE-UHFFFAOYSA-N |
| INCHI | 1S/C32H32N2O12/c1-17-7-21(9-19(29(17)43)11-33(13-25(35)36)14-26(37)38)32(24-6-4-3-5-23(24)31(45)46-32)22-8-18(2)30(44)20(10-22)12-34(15-27(39)40)16-28(41)42/h3-10,43-44H,11-16H2,1-2H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42) |
| Isomeric SMILES | CC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)O)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C(=C4)C)O)CN(CC(=O)O)CC(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 636.6 |
| Beilstein | 381994 |
| Reaxy-Rn | 381994 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=381994&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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Pentacarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pentacarboxylic acids and derivatives |
| Alternative Parents | Alpha amino acids Phthalides Benzofuranones Phenylmethylamines Ortho cresols Benzylamines Toluenes Aralkylamines Trialkylamines Amino acids Carboxylic acid esters Lactones Oxacyclic compounds Carboxylic acids Carbonyl compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pentacarboxylic acid or derivatives - Alpha-amino acid - Phthalide - Benzofuranone - Isobenzofuranone - Alpha-amino acid or derivatives - Isocoumaran - Benzylamine - O-cresol - Phenylmethylamine - Aralkylamine - Toluene - Phenol - Benzenoid - Monocyclic benzene moiety - Amino acid - Lactone - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2620228 | Certificate of Analysis | Apr 11, 2026 | C639657 |
| D2620229 | Certificate of Analysis | Apr 11, 2026 | C639657 |
| E2506102 | Certificate of Analysis | Apr 27, 2025 | C639657 |
| E2506103 | Certificate of Analysis | Apr 27, 2025 | C639657 |
| D2409032 | Certificate of Analysis | Dec 01, 2023 | C639657 |
| K2328396 | Certificate of Analysis | Dec 01, 2023 | C639657 |
| K2328403 | Certificate of Analysis | Dec 01, 2023 | C639657 |
| Sensitivity | Heat Sensitive |
|---|---|
| Melt Point(°C) | 181°C |
| Molecular Weight | 636.600 g/mol |
| XLogP3 | -2.000 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 14 |
| Exact Mass | 636.196 Da |
| Monoisotopic Mass | 636.196 Da |
| Topological Polar Surface Area | 222.000 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 1050.000 |
| 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 |
| 1. Zhang Lu, Li Yingying, Wei Fang, Liu Hang, Wang Yushuai, Zhao Weiman, Dong Zhiyong, Ma Tao, Wang Qingqing. (2020) Transdermal Delivery of Salmon Calcitonin Using a Dissolving Microneedle Array: Characterization, Stability, and In vivo Pharmacodynamics. AAPS PHARMSCITECH, 22 (1): (1-9). [PMID:33215299] [10.1208/s12249-020-01865-z] |
| 2. Lan Wang, Cai-Yun Wang, Ying Zhang, Hai-Juan Fu, Yan Gao, Ke-Rui Zhang. (2019) Preparation and characterization of solid lipid nanoparticles loaded with salmon calcitonin phospholipid complex. JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY, [PMID:] [10.1016/j.jddst.2019.05.045] |
| 3. Mei-Ling Zhang, Xin-Huai Zhao. (2014) In Vitro Calcium-Chelating and Platelet Anti-Aggregation Activities of Soy Protein Hydrolysate Modified by the Alcalase-Catalyzed Plastein Reaction. JOURNAL OF FOOD BIOCHEMISTRY, 38 (3): (374-380). [PMID:] [10.1111/jfbc.12063] |
| 4. Wang Zihu, Dong Yan, Sui Xiaoxiao, Shao Xingyan, Li Kangshuai, Zhang Hao, Xu Zhenyuan, Zhang Dongzhi. (2024) An artificial intelligence-assisted microfluidic colorimetric wearable sensor system for monitoring of key tear biomarkers. npj Flexible Electronics, 8 (1): (1-11). [PMID:] [10.1038/s41528-024-00321-3] |
