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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Orotic Acid Monohydrate - ≥98% , CAS No.50887-69-9
Synonyms
2-methoxycarbonylamino-3-methylbutyric acid | Uracil-6-carboxylic acid monohydrate | Orotic acid monohydrate | UNII-91532S02AO | FT-0673304 | SCHEMBL119625 | EN300-30039 | orotic acid monohydrate, vitamin B~13~ | 2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-c
Storage
Desiccated,Room temperature
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Desiccated,Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
2-methoxycarbonylamino-3-methylbutyric acid | Uracil-6-carboxylic acid monohydrate | Orotic acid monohydrate | UNII-91532S02AO | FT-0673304 | SCHEMBL119625 | EN300-30039 | orotic acid monohydrate, vitamin B~13~ | 2, 6-Dioxo-1, 2, 3, 6-tetrahydropyrimidine-4-c
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Desiccated, Room temperature
Nombres e identificadores Pubchem Sid 488199310 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488199310 Sonrisas canónicas C1=C(NC(=O)NC1=O)C(=O)O.O IUPAC Name 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydrate InChIKey YXUZGLGRBBHYFZ-UHFFFAOYSA-N INCHI 1S/C5H4N2O4.H2O/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);1H2 Isómeros SMILES C1=C(NC(=O)NC1=O)C(=O)O.O WGK Alemania 3 RTECS RM3180000 CAS alternativo 65-86-1；34717-03-8 Peso molecular 174.11 Beilstein 25253 Reaxy-Rn 7604036 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7604036&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Clase Diazines Subclass Pyrimidines and pyrimidine derivatives Intermediate Tree Nodes Pyrimidinecarboxylic acids and derivatives Direct Parent Pyrimidinecarboxylic acids Alternative Parents Hydropyrimidine carboxylic acids and derivatives Pyrimidones Vinylogous amides Heteroaromatic compounds Ureas Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Pyrimidine-6-carboxylic acid - Hydropyrimidine carboxylic acid derivative - Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Soluble in water (1.7 mg/ml), and ammonium hydroxide. Insoluble in chloroform Punto de fusión (°C) 300°C Peso molecular 174.110 g/mol XLogP3 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 1 Exact Mass 174.028 Da Monoisotopic Mass 174.028 Da Topological Polar Surface Area 96.500 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 268.000 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 2
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