Uric acid-1,3-¹⁵N₂ - ≥98 atom% 15N,≥98% , CAS No.62948-75-8

CAS: 62948-75-8 Cat. No.: U471861 Fórmula: C₅H₄¹⁵N₂N₂O₃ Peso molecular: 170.10 Número EC: 693-073-9 PubChem CID: 16213490

GRADE & PURITY ≥98 atom% 15N,≥98%

Synonyms

2,6,8-Trihydroxypurine-1,3-15N2

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

2,6,8-Trihydroxypurine-1,3-15N2

Especificaciones y pureza

≥98 atom% 15N,≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98 atom% 15N,≥98%

Nombres e identificadores

Pubchem Sid

504768228

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768228

Sonrisas canónicas

[H][15N]1C(=O)[15NH]C(=O)C2=C1NC(=O)N2

IUPAC Name

7,9-dihydro-3H-purine-2,6,8-trione

InChIKey

LEHOTFFKMJEONL-IOOOXAEESA-N

INCHI

1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)/i8+1,9+1

Isómeros SMILES

C12=C(NC(=O)N1)[15NH]C(=O)[15NH]C2=O

CAS alternativo

69-93-2（unlabelled）

PubChem CID

16213490

Peso molecular

170.10

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Xanthines
• Alternative Parents: 6-oxopurines Alkaloids and derivatives Pyrimidones Vinylogous amides Imidazoles Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
• 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

• Sensibilidad: Moisture sensitive；light sensitive
• Punto de fusión (°C): >300° C
• Peso molecular: 170.100 g/mol
• XLogP3: -1.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 170.022 Da
• Monoisotopic Mass: 170.022 Da
• Topological Polar Surface Area: 99.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 332.000
• Isotope Atom Count: 2
• 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

Preguntas frecuentes

What is the purity of this product?

This product is isotopically enriched to ≥98 atom% nitrogen-15. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 62948-75-8, the molecular formula is C5H415N2N2O3, and the molecular weight is 170.10 g/mol. InChIKey LEHOTFFKMJEONL-IOOOXAEESA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.