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

CAS: 62948-75-8 Cat. No.: U471861 Summenformel: C₅H₄¹⁵N₂N₂O₃ Molekulargewicht: 170.10 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥98 atom% 15N,≥98%

Storage

Protected from light,Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98 atom% 15N,≥98%

Namen und Kennungen

Pubchem Sid

504768228

Pubchem Sid Url

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

Kanonisches Lächeln

[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

Isomere SMILES

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

Alternative CAS-Nummer

69-93-2（unlabelled）

PubChem CID

16213490

Molekulargewicht

170.10

Taxonomic Classification

Taxonomy Tree

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

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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive；light sensitive
• Schmelzpunkt (°C): >300° C
• Molekulargewicht: 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

Häufig gestellte Fragen

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.