5-(Hydroxymethyl)uracil - 10mM in DMSO , CAS No.4433-40-3

CAS: 4433-40-3 Cat. No.: H424016 Fórmula: C₅H₆N₂O₃ Peso molecular: 142.11 Número CE: 224-636-5

GRADE & PURITY 10mM in DMSO

Synonyms

5-hydroxymethyl-2,4(1H,3H)-pyrimidinedione | Z276550478 | 2,4-Dihydroxy-5-hydroxymethylpyrimidine | 5-Oxymethyluracil | OXYMETHYLURACIL, 5- | SCHEMBL44459 | SCHEMBL5744433 | 5-(hydroxymethyl)pyrimidine-2,4(1H,3H)-dione;5-(Hydroxymethyl)uracil | 5-(Hydroxy

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

5-(Hydroxymethyl)uracil serves as a stable major oxidative modification of thymine formed through the action of ionizing radiation.

Specifications

Sinónimos

5-hydroxymethyl-2,4(1H,3H)-pyrimidinedione | Z276550478 | 2,4-Dihydroxy-5-hydroxymethylpyrimidine | 5-Oxymethyluracil | OXYMETHYLURACIL, 5- | SCHEMBL44459 | SCHEMBL5744433 | 5-(hydroxymethyl)pyrimidine-2,4(1H,3H)-dione;5-(Hydroxymethyl)uracil | 5-(Hydroxy

Especificações e pureza

10mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

• Pubchem Sid: 528761283
• Sorrisos canónicos: C1=C(C(=O)NC(=O)N1)CO
• IUPAC Name: 5-(hydroxymethyl)-1H-pyrimidine-2,4-dione
• InChIKey: JDBGXEHEIRGOBU-UHFFFAOYSA-N
• INCHI: 1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)
• SMILES isoméricas: C1=C(C(=O)NC(=O)N1)CO
• WGK Alemanha: 3
• RTECS: YR0513000
• Peso molecular: 142.11
• Reaxy-Rn: 125482
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=125482&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidones
• Alternative Parents: Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidone - Hydropyrimidine - Vinylogous amide - Heteroaromatic compound - Lactam - Urea - Azacycle - Alcohol - Hydrocarbon derivative - Aromatic alcohol - Organic oxide - Organopnictogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• External Descriptors: a small molecule

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

Propriedades químicas e físicas

• Ponto de fusão (°C): >300°C
• Peso molecular: 142.110 g/mol
• XLogP3: -1.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 142.038 Da
• Monoisotopic Mass: 142.038 Da
• Topological Polar Surface Area: 78.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 209.000
• 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: 1