Thiamine monophosphate chloride dihydrate - ≥99% , CAS No.273724-21-3

CAS: 273724-21-3 Cat. No.: T346336 Peso molecular: 416.82 Número EC: 878-479-8 PubChem CID: 91886578

GRADE & PURITY ≥99%

Synonyms

Thiamine monophosphate chloride dihydrat | Thiaminemonophosphatechloridedihydrate | Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)-, chloride, hydrate (1:1:2) | AKOS040758630 | 2-[3-[(4-amino-2-methylpyrimidin-5-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Thiamine monophosphate chloride dihydrat | Thiaminemonophosphatechloridedihydrate | Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)-, chloride, hydrate (1:1:2) | AKOS040758630 | 2-[3-[(4-amino-2-methylpyrimidin-5-

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Thiamine monophosphokinase (TMP) is a substrate for thiamine monophosphokinase (EC 2.7.4.16) and a precursor to thiamine pyrophosphate (TPP). TPP is a coenzyme involved in the catabolism of sugars and amino acids. Thiamine monophosphate (TMP) can be used

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504772696
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772696
• Sonrisas canónicas: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O.O.O.[Cl-]
• IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate;chloride;dihydrate
• InChIKey: FANVXQCOBPOPEG-UHFFFAOYSA-N
• INCHI: 1S/C12H17N4O4PS.ClH.2H2O/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;;;/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);1H;2*1H2
• Isómeros SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O.O.O.[Cl-]
• PubChem CID: 91886578
• Peso molecular: 416.82

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Thiamines
          • Level6 Thiamine phosphates

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Thiamines
• Direct Parent: Thiamine phosphates
• Alternative Parents: Monoalkyl phosphates Aminopyrimidines and derivatives 4,5-disubstituted thiazoles Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Organooxygen compounds Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiamine-phosphate - 4,5-disubstituted 1,3-thiazole - Aminopyrimidine - Monoalkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Imidolactam - Alkyl phosphate - Azole - Heteroaromatic compound - Thiazole - Azacycle - Organic salt - Organic chloride salt - Primary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic zwitterion - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thiamine phosphates. These are thiamine derivatives in which the hydroxyl group of the ethanol moiety is substituted by a phosphate group.
• 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Soluble in water (50 mg/ml).
• Punto de fusión (°C): 190° C
• Peso molecular: 416.820 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 416.069 Da
• Monoisotopic Mass: 416.069 Da
• Topological Polar Surface Area: 153.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 413.000
• 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: 4

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