6-iodopurine - ≥95% , CAS No.2545-26-8

CAS: 2545-26-8 Cat. No.: I169066 Molecular Weight: 246.01 PubChem CID: 5463067

GRADE & PURITY ≥95%

Synonyms

6-Iodo-9H-purine | 6-iodopurine, AldrichCPR | AM807661 | EINECS 219-825-4 | W-202072 | 6-iodo-7H-purine | AI3-50271 | NIBFSSALYRLHPY-UHFFFAOYSA-N | DTXSID90180108 | AKOS016007514 | 6-Iodopurine | A817859 | SCHEMBL126185 | AB07971 | NSC 25803 | Purine, 6-i

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

6-Iodo-9H-purine | 6-iodopurine, AldrichCPR | AM807661 | EINECS 219-825-4 | W-202072 | 6-iodo-7H-purine | AI3-50271 | NIBFSSALYRLHPY-UHFFFAOYSA-N | DTXSID90180108 | AKOS016007514 | 6-Iodopurine | A817859 | SCHEMBL126185 | AB07971 | NSC 25803 | Purine, 6-i

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=NC2=C(N1)C(=NC=N2)I
• IUPAC Name: 6-iodo-7H-purine
• InChIKey: NIBFSSALYRLHPY-UHFFFAOYSA-N
• INCHI: 1S/C5H3IN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
• Isomeric SMILES: C1=NC2=C(N1)C(=NC=N2)I
• WGK Germany: 3
• RTECS: UO8560000
• PubChem CID: 5463067
• Molecular Weight: 246.01

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Purines and purine derivatives
• Alternative Parents: Halopyrimidines Aryl iodides Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine - Halopyrimidine - Aryl halide - Aryl iodide - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Azacycle - Organoiodide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: 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: 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

Chemical and Physical Properties

• Molecular Weight: 246.010 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 245.94 Da
• Monoisotopic Mass: 245.94 Da
• Topological Polar Surface Area: 54.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 131.000
• 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