3'-Deoxy-3'-fluoroguanosine , CAS No.123402-21-1

CAS: 123402-21-1 Cat. No.: D1365087 Molecular Weight: 285.23 PubChem CID: 135532713

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: C1=NC2=C(N1C3C(C(C(O3)CO)F)O)N=C(NC2=O)N
• IUPAC Name: 2-amino-9-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
• InChIKey: VDOWHLFGBWKXJC-DXTOWSMRSA-N
• INCHI: 1S/C10H12FN5O4/c11-4-3(1-17)20-9(6(4)18)16-2-13-5-7(16)14-10(12)15-8(5)19/h2-4,6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,4-,6-,9-/m1/s1
• Isomeric SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)F)O)N=C(NC2=O)N
• Alternate CAS: 123402-21-1
• PubChem CID: 135532713
• Molecular Weight: 285.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Purine nucleosides
      • Subclass Purine 3'-deoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Purine nucleosides
• Subclass: Purine 3'-deoxyribonucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine 3'-deoxyribonucleosides
• Alternative Parents: 6-oxopurines Hypoxanthines Pyrimidones Aminopyrimidines and derivatives N-substituted imidazoles Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Fluorohydrins Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds Primary alcohols Alkyl fluorides Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine 3'-deoxyribonucleoside - 6-oxopurine - Hypoxanthine - Purinone - Imidazopyrimidine - Purine - Aminopyrimidine - Pyrimidone - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Tetrahydrofuran - Fluorohydrin - Halohydrin - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Azacycle - Alkyl fluoride - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Alkyl halide - Primary amine - Primary alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as purine 3'-deoxyribonucleosides. These are compounds consisting of a purine linked to a ribose which lacks a hydroxyl group at position 3.
• 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: 285.230 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 285.087 Da
• Monoisotopic Mass: 285.087 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 449.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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