Violuric acid monohydrate - ≥97% , CAS No.26351-19-9

CAS: 26351-19-9 Cat. No.: V106871 Fórmula: C₄H₃N₃O₄·H₂O Peso molecular: 175.1 Beilstein Registry Number: 162342 Número EC: 629-208-5 PubChem CID: 135845148

CALIDAD & PUREZA ≥97%

Synonyms

2,4,5,6(1H,3H)-Pyrimidinetetrone, 5-oxime, monohydrate|Violuric acid monohydrate|6-hydroxy-5-nitroso-1H-pyrimidine-2,4-dione;hydrate|2,4,5,6(1H,3H)-Pyrimidinetetrone, 5-oxime, hydrate (1:1)|Alloxan-5-oxime monohydrate|pyrimidine-2,4,5,6(1H,3H)-tetrone monohydrate|6-Hydroxy-5-nitrosopyrimidine-2,4(1H,3H)-dione Hydrate|5-(Hydroxyimino)pyrimidine-2,4,6(1H,3H,5H)-trione hydrate|5-(hydroxyimino)-1,3-diazinane-2,4,6-trione hydrate

Storage

Room temperature

Shipped In

Normal

Descripción general

for spectrophotometric detect of Co

Especificaciones

Sinónimos

2,4,5,6(1H,3H)-Pyrimidinetetrone, 5-oxime, monohydrate | Violuric acid monohydrate | 6-hydroxy-5-nitroso-1H-pyrimidine-2,4-dione;hydrate | 2,4,5,6(1H,3H)-Pyrimidinetetrone, 5-oxime, hydrate (1:1) | Alloxan-5-oxime monohydrate | pyrimidine-2,4,5,6(1H,3H)-tetrone monohydrate | 6-Hydroxy-5-nitrosopyrimidine-2,4(1H,3H)-dione Hydrate | 5-(Hydr Show more

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488203004

Sonrisas canónicas

C1(=C(NC(=O)NC1=O)O)N=O.O

IUPAC Name

6-hydroxy-5-nitroso-1H-pyrimidine-2,4-dione;hydrate

InChIKey

QJGCOHAQRQNJFS-UHFFFAOYSA-N

INCHI

1S/C4H3N3O4.H2O/c8-2-1(7-11)3(9)6-4(10)5-2;/h(H3,5,6,8,9,10);1H2

Isómeros SMILES

C1(=C(NC(=O)NC1=O)O)N=O.O

WGK Alemania

3

PubChem CID

135845148

Peso molecular

175.1

Beilstein

162342

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxypyrimidines
• Alternative Parents: Pyrimidones Vinylogous amides Vinylogous acids Heteroaromatic compounds Organic carbonic acids and derivatives Lactams Propargyl-type 1,3-dipolar organic compounds C-nitroso compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydroxypyrimidine - Pyrimidone - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Carbonic acid derivative - Lactam - Organic nitroso compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - C-nitroso compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

• Punto de fusión (°C): 240-250°C
• Peso molecular: 175.100 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 175.023 Da
• Monoisotopic Mass: 175.023 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 269.000
• 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: 2

XLogP3