Guanine - UltraBio™ , CAS No.73-40-5

CAS: 73-40-5 Cat. No.: G755606 Summenformel: C₅H₅N₅O Molekulargewicht: 151.13 Beilstein Registry Number: 9680 EG-Nummer: 200-799-8

QUALITÄT & REINHEIT UltraBio™

Storage

Room temperature

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Spezifikationen

Spezifikationen & Reinheit

UltraBio™

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Room temperature

Verschickt in

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Note

UltraBio™

Namen und Kennungen

Kanonisches Lächeln

C1=NC2=C(N1)C(=O)NC(=N2)N

IUPAC Name

2-amino-1,7-dihydropurin-6-one

InChIKey

UYTPUPDQBNUYGX-UHFFFAOYSA-N

INCHI

1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)

Isomere SMILES

C1=NC2=C(N1)C(=O)NC(=N2)N

WGK Deutschland

3

RTECS

MF8260000

Molekulargewicht

151.13

Beilstein

9680

Reaxy-Rn

9680

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9680&ln=

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: Purines and purine derivatives
• Alternative Parents: Hydroxypyrimidines Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine - Hydroxypyrimidine - Pyrimidine - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.
• External Descriptors: a purine base - a purine

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

• Löslichkeit: 1 M NaOH: 0.1 M, clear, colorless to faintly yellow
• Schmelzpunkt (°C): 360°C
• Molekulargewicht: 151.130 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 151.049 Da
• Monoisotopic Mass: 151.049 Da
• Topological Polar Surface Area: 96.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 225.000
• 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