O-Phospho-L-threonine - ≥95% , CAS No.1114-81-4

CAS: 1114-81-4 Cat. No.: L332880 Peso molecular: 199.10 Beilstein Registry Number: 1727078 Número EC: 214-217-5

GRADE & PURITY ≥95%

Synonyms

AKOS006237893 | O3-phosphothreonine | HY-113014 | L-Threonine phosphate | O-phospho-L-threonine | phospho-l-threonine | USRGIUJOYOXOQJ-GBXIJSLDSA-N | L-Threonine, dihydrogen phosphate (ester) | (S)-2-Amino-3-hydroxybutanoic acid 3-phosphate | 3L4WX7B1EI |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

AKOS006237893 | O3-phosphothreonine | HY-113014 | L-Threonine phosphate | O-phospho-L-threonine | phospho-l-threonine | USRGIUJOYOXOQJ-GBXIJSLDSA-N | L-Threonine, dihydrogen phosphate (ester) | (S)-2-Amino-3-hydroxybutanoic acid 3-phosphate | 3L4WX7B1EI |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504762507
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762507
• Sonrisas canónicas: CC(C(C(=O)O)N)OP(=O)(O)O
• IUPAC Name: (2S,3R)-2-amino-3-phosphonooxybutanoic acid
• InChIKey: USRGIUJOYOXOQJ-GBXIJSLDSA-N
• INCHI: 1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1
• Isómeros SMILES: C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O
• WGK Alemania: 3
• Peso molecular: 199.10
• Beilstein: 1727078
• Reaxy-Rn: 1958092
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1958092&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: Phosphoethanolamines Monoalkyl phosphates Fatty acids and conjugates 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 - Phosphoethanolamine - Monoalkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Fatty acid - Alkyl phosphate - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Primary amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Primary aliphatic amine - Organic nitrogen compound - Carbonyl group - 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: non-proteinogenic L-alpha-amino acid - L-threonine derivative - O-phosphoamino acid

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

Propiedades químicas y físicas

• Solubilidad: Soluble in NH4OH 1N (~100.00 mg/ml).
• Índice de refracción: n20D1.54 (Predicted)
• Rotación específica [α]: α20D-19.60°±1.0°, c = ~1.0 in NH4OH 1N; α20D°
• Punto de ebullición (°C): ~454.0 °C at 760 mmHg (Predicted)
• Punto de fusión (°C): 232.54 °C (Predicted)
• Peso molecular: 199.100 g/mol
• XLogP3: -4.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 199.025 Da
• Monoisotopic Mass: 199.025 Da
• Topological Polar Surface Area: 130.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 212.000
• 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