D-allo-Threonine - ≥99% , CAS No.24830-94-2

CAS: 24830-94-2 Cat. No.: T100954 Fórmula: C₄H₉NO₃ Peso molecular: 119.12 Beilstein Registry Number: 1721644 Número CE: 246-488-0

GRAU & PUREZA ≥99%

Synonyms

allo-D-threonine|H-D-ALLO-THR-OH|Allothreonine, D-|D(-)-allo-Threonine|(2R,3R)-2-amino-3-hydroxybutanoic acid|(2R3R)-2-Amino-3-hydroxybutyric acid|(2R,3R)-2-azaniumyl-3-hydroxy-butanoate;D-allo-Threonine|cis-Vinylenebis(diphenylphosphine)|D-Allothreonine|D-allo-Threonine|DL-allothreonine|DL-allo-Threonine|Threonine, allo-|(2R,3R)-3-HYDROXY-2-AMINOBUTANOIC ACID|(R)-Allothreonine|FB1|(2R,3R)-Allothreonine|1,3-Benzenediamine,N1,N1-dimethyl-4-nitro-|(2R,3R)-2-amino-3-hydroxybutanoicacid|D-allo-Thr|(2S)-2-acetamido-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide;sulfuric acid|DL-ALLOTHREONINE (CONTAINS THREONINE)

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

allo-D-threonine | H-D-ALLO-THR-OH | Allothreonine, D- | D(-)-allo-Threonine | (2R,3R)-2-amino-3-hydroxybutanoic acid | (2R3R)-2-Amino-3-hydroxybutyric acid | (2R,3R)-2-azaniumyl-3-hydroxy-butanoate;D-allo-Threonine | cis-Vinylenebis(diphenylphosphine) | D-Allothreonine | D-allo-Threonine | DL-allothreonine | DL-allo-Threonine | Threonine Show more

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

488186633

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186633

Sorrisos canónicos

CC(C(C(=O)O)N)O

IUPAC Name

(2R,3R)-2-amino-3-hydroxybutanoic acid

InChIKey

AYFVYJQAPQTCCC-PWNYCUMCSA-N

INCHI

1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m1/s1

SMILES isoméricas

C[C@H]([C@H](C(=O)O)N)O

WGK Alemanha

3

RTECS

BA4050000

Peso molecular

119.12

Beilstein

1721644

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
    • Classe 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 D-alpha-amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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: D-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: D-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
• Descrição: This compound belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-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

Alvos associados (não humanos)

L1210 (27553 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water.
• Rotação específica [α]: [α]D -10° (C=5,H2O)
• Ponto de fusão (°C): 277-279°C
• 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