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

CAS: 4433-40-3 Cat. No.: H424016 Molecular Weight: 142.11 EC Number: 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

Overview

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

Specifications

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

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: C1=C(C(=O)NC(=O)N1)CO
• WGK Germany: 3
• RTECS: YR0513000
• Molecular Weight: 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
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Melt Point(°C): >300°C
• Molecular Weight: 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