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

CAS: 4433-40-3 Cat. No.: H424016 분자식: C₅H₆N₂O₃ 분자량: 142.11 EC 번호: 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

개요

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

Specifications

동의어

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

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

Pubchem Sid

528761283

정식 스마일

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)

이성체 SMILES

C1=C(C(=O)NC(=O)N1)CO

WGK 독일

3

RTECS

YR0513000

분자량

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
    • 분류 Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 녹는점(°C): >300°C
• 분자량: 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