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

CAS: 4433-40-3 Cat. No.: H424016 Summenformel: C₅H₆N₂O₃ Molekulargewicht: 142.11 EG-Nummer: 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

Übersicht

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

Specifications

Synonyme

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

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

• Pubchem Sid: 528761283
• Kanonisches Lächeln: 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)
• Isomere SMILES: C1=C(C(=O)NC(=O)N1)CO
• WGK Deutschland: 3
• RTECS: YR0513000
• Molekulargewicht: 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
    • Klasse Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): >300°C
• Molekulargewicht: 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