L-allo-Threonine - ≥99% , CAS No.28954-12-3

CAS: 28954-12-3 Cat. No.: T114829 Peso molecular: 119.12 Beilstein Registry Number: 1721645 Número EC: 249-327-2

GRADE & PURITY ≥99%

Synonyms

(2R,3R,4R,5R)-2-(5-Fluoro-2-oxo-4-(((pentyloxy)carbonyl)amino)pyrimidin-1(2H)-yl)-5-methyltetrahydrofuran-3,4-diyl diacetate | (2S,3S)-2-ammonio-3-hydroxybutanoate | NSC-206283 | L-allo-Threonine, 99% | (S)-ALLOTHREONINE | (S)-ALLO-THREONINE | C05519 | EN

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

(2R, 3R, 4R, 5R)-2-(5-Fluoro-2-oxo-4-(((pentyloxy)carbonyl)amino)pyrimidin-1(2H)-yl)-5-methyltetrahydrofuran-3, 4-diyl diacetate | (2S, 3S)-2-ammonio-3-hydroxybutanoate | NSC-206283 | L-allo-Threonine, 99% | (S)-ALLOTHREONINE | (S)-ALLO-THREONINE | C05519 | EN

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CC(C(C(=O)O)N)O
• IUPAC Name: (2S,3S)-2-amino-3-hydroxybutanoic acid
• InChIKey: AYFVYJQAPQTCCC-HRFVKAFMSA-N
• INCHI: 1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1
• Isómeros SMILES: C[C@@H]([C@@H](C(=O)O)N)O
• WGK Alemania: 3
• RTECS: BA4055000
• Número ONU: 3295
• Peso molecular: 119.12
• Beilstein: 1721645
• Reaxy-Rn: 1098902
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098902&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids
              • Level8 L-alpha-amino acids

• 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: Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Fatty acids and conjugates Secondary alcohols Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: L-alpha-amino acid - Beta-hydroxy acid - Short-chain hydroxy acid - Hydroxy acid - Fatty acid - Amino acid - Secondary alcohol - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Aliphatic acyclic 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: allothreonine

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.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

L1210 (27553 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Rotación específica [α]: 10 ° (C=5, H2O)
• Peso molecular: 119.120 g/mol
• XLogP3: -2.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 119.058 Da
• Monoisotopic Mass: 119.058 Da
• Topological Polar Surface Area: 83.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 93.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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