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· · COA & SDS Disponible para cada producto · Envío el mismo día para artículos en stock Bromo-willardiine , CAS No.19772-78-2
Synonyms
BROMO-WILLARDIINE|5-Bromowillardiine|2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID|BWD|5-Bromo-S-willardiine|3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-l-alanine|(2S)-2-amino-3-(5-bromo-2,4-dioxopyrimidin-1-yl)propanoic acid|(S)-2-Amino-3-(5-bromo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propionic acid|(S)-2-amino-3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid|1(2H)-Pyrimidinepropanoic acid, alpha-amino-5-bromo-3,4-dihydro-2,4-dioxo-, (S)-|(2S)-2-AMINO-3-(5-BROMO-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-1-YL)PROPANOIC ACID|1(2H)-PYRIMIDINEPROPANOIC ACID, .ALPHA.-AMINO-5-BROMO-3,4-DIHYDRO-2,4-DIOXO-, (.ALPHA.S)-
Especificaciones Sinónimos
BROMO-WILLARDIINE | 5-Bromowillardiine | 2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID | BWD | 5-Bromo-S-willardiine | 3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-l-alanine | (2S)-2-amino-3-(5-bromo-2,4-dioxopyrimidin-1-yl)propanoic acid | (S)-2-Amino-3-(5-bromo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl) Show more
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto Nombres e identificadores Sonrisas canónicas
C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)Br
IUPAC Name
(2S)-2-amino-3-(5-bromo-2,4-dioxopyrimidin-1-yl)propanoic acid
InChIKey
AEKIJKSVXKWGRJ-BYPYZUCNSA-N
INCHI
1S/C7H8BrN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1
Isómeros SMILES
C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Br
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7817208&ln=
Datos avanzados Taxonomic Classification Kingdom Organic compounds Superclass Organic acids and derivatives Clase Carboxylic acids and derivatives Subclass Amino acids, peptides, and analogues Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives - Alpha amino acids Direct Parent L-alpha-amino acids Alternative Parents Pyrimidones Halopyrimidines Aryl bromides Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Amino acids Lactams Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Organobromides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Monoalkylamines Molecular Framework Aromatic heteromonocyclic compounds Substituents L-alpha-amino acid - Halopyrimidine - Pyrimidone - Aryl bromide - Aryl halide - Hydropyrimidine - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Lactam - Amino acid - Urea - Azacycle - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Primary aliphatic amine - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organooxygen compound - Primary amine - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. External Descriptors organobromine compound - non-proteinogenic L-alpha-amino acid - L-alanine derivative 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 Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 278.060 g/mol XLogP3 -3.500 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 3 Exact Mass 276.97 Da Monoisotopic Mass 276.97 Da Topological Polar Surface Area 113.000 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 354.000 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
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