analytical standard,≥98% Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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.
| Sonrisas canónicas | CC(C)(CO)C(C(=O)NCCC(=O)O)O |
|---|---|
| IUPAC Name | 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid |
| InChIKey | GHOKWGTUZJEAQD-ZETCQYMHSA-N |
| INCHI | 1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1 |
| Isómeros SMILES | CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O |
| Peso molecular | 219.24 |
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 oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Alcohols and polyols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Secondary alcohols |
| Alternative Parents | Propargyl-type 1,3-dipolar organic compounds Polyols Monocarboxylic acids and derivatives Carboxylic acids Carboximidic acids Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Secondary alcohol - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Polyol - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonyl group - Primary alcohol - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aliphatic acyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). |
| External Descriptors | Water-soluble vitamins |
| Peso molecular | 219.230 g/mol |
|---|---|
| XLogP3 | -1.100 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 219.111 Da |
| Monoisotopic Mass | 219.111 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 239.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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. Qiang Lyu, Wanying Zheng, Qiyuan Shan, Lichuang Huang, Yiwen Wang, Lu Wang, Haodan Kuang, Muhammad Azam, Gang Cao. (2023) Expanding annotation of chemical compounds in hawthorn fruits and their variations in thermal processing using integrated mass spectral similarity networking. FOOD RESEARCH INTERNATIONAL, [PMID:37689886] [10.1016/j.foodres.2023.113114] |
| 2. Jiaxuan Guo, Xixi Sun, Yujie Yuan, Qitong Chen, Zutian Ou, Zixin Deng, Tian Ma, Tiangang Liu. (2023) Metabolic Engineering of Saccharomyces cerevisiae for Vitamin B5 Production. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:37154424] [10.1021/acs.jafc.3c01082] |
| 3. Bo Zhang, Li Chen, Jie-Yi Jin, Na Zhong, Xue Cai, Shu-Ping Zou, Hai-Yan Zhou, Zhi-Qiang Liu, Yu-Guo Zheng. (2021) Strengthening the (R)-pantoate pathway to produce D-pantothenic acid based on systematic metabolic analysis. Food Bioscience, [PMID:] [10.1016/j.fbio.2021.101283] |
| 4. Qiqin Wang, Huihui Wu, Kun Peng, Hanying Jin, Huikai Shao, Yuqiang Wang, Jacques Crommen, Zhengjin Jiang. (2017) Hydrophilic polymeric monoliths containing choline phosphate for separation science applications. ANALYTICA CHIMICA ACTA, [PMID:29254571] [10.1016/j.aca.2017.11.032] |
| 5. Yang Wenjuan, Tang Sidi, Xu Rubing, Zhang Lu, Zhou Zihao, Yang Yong, Li Yanyan, Xiang Haibo. (2024) LC-MS based metabolomics identification of natural metabolites against Fusarium oxysporum. Frontiers in Plant Science, [PMID:39290733] [10.3389/fpls.2024.1435963] |
| 6. Junli Li, Guoqiang Xiang, Lijun He, Xiuming Jiang, Renyong Zhao. (2025) Synthesis of B, N-co-doped carbon dots with high quantum yield for the selective detection of hydrogen peroxide and ascorbic acid in food samples. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2025.112828] |
| 7. Qiang Wan, Rong Li, Meiping Ren, Gang Ke. (2025) Hydrothermally Synthesized Boletus Brucella-derived Carbon Quantum Dots as a Fluorescent Probe for the Detection of Vitamin B2. Current Nanoscience, 21 (1): (92-98). [PMID:] [10.2174/0115734137259719230921065320] |
| 8. Shen Zhang, Zhuo Wang, Yuyu Guo. (2026) Construction of biomass carbon dots and multiple modes for precise determination of VB12. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, [PMID:] [10.1016/j.saa.2026.127795] |
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