Xanthopterin Hydrate - 2mM in DMSO , CAS No.5979-01-1

CAS: 5979-01-1 Cat. No.: X424973 Fórmula: C₆H₅N₅O₂·xH₂O Peso molecular: 179.14(anhy) Beilstein Registry Number: 26(2)313 Número CE: 611-886-9 PubChem CID: 135465063

GRADE & PURITY 2mM in DMSO

Synonyms

AKOS024318883 | 2-Aminopteridine-4,6(3H,5H)-dione hydrate | s5677 | 2-aminopteridine-4,6(1H,5H)-dione hydrate | xanthopterin hydrate | 4-Hydroxy-2-imino-1,5-dihydropteridin-6(2H)-one--water (1/1) | 2-amino-3,5-dihydropteridine-4,6-dione;hydrate | T72679 |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

AKOS024318883 | 2-Aminopteridine-4,6(3H,5H)-dione hydrate | s5677 | 2-aminopteridine-4,6(1H,5H)-dione hydrate | xanthopterin hydrate | 4-Hydroxy-2-imino-1,5-dihydropteridin-6(2H)-one--water (1/1) | 2-amino-3,5-dihydropteridine-4,6-dione;hydrate | T72679 |

Especificações e pureza

2mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

• Sorrisos canónicos: C1=NC2=C(C(=O)NC(=N2)N)NC1=O.O
• IUPAC Name: 2-amino-3,5-dihydropteridine-4,6-dione;hydrate
• InChIKey: GXYCFNCAIXIUMR-UHFFFAOYSA-N
• INCHI: 1S/C6H5N5O2.H2O/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4;/h1H,(H,9,12)(H3,7,8,10,11,13);1H2
• SMILES isoméricas: C1=NC2=C(C(=O)NC(=N2)N)NC1=O.O
• PubChem CID: 135465063
• Peso molecular: 179.14(anhy)
• Beilstein: 26(2)313
• Reaxy-Rn: 192522

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pteridines and derivatives
      • Subclass Pterins and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pteridines and derivatives
• Subclass: Pterins and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pterins and derivatives
• Alternative Parents: Pyrimidones Aminopyrimidines and derivatives Pyrazines Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pterin - Aminopyrimidine - Pyrimidone - Pyrazine - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Lactam - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.
• 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

Propriedades químicas e físicas

• Peso molecular: 197.150 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 197.055 Da
• Monoisotopic Mass: 197.055 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 392.000
• 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

Perguntas frequentes

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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

The CAS Number is 5979-01-1, the molecular formula is C6H5N5O2·xH2O, and the molecular weight is 179.14(anhy) g/mol. InChIKey GXYCFNCAIXIUMR-UHFFFAOYSA-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.