5′-Chloro-5′-deoxyadenosine hydrate - ≥97% , CAS No.698999-09-6

CAS: 698999-09-6 Cat. No.: C340352 Peso molecular: 285.69 (anhydrous basis) Número EC: 695-617-0 PubChem CID: 16217084

GRADE & PURITY ≥97%

Synonyms

(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(chloromethyl)oxolane-3,4-diol;hydrate | 5'-Chloro-5'-deoxyadenosine hydrate, 97% | PD070071 | 5/'-chloro-5/'-Deoxyadenosine (hydrate) | DTXSID00584239 | 5'-Chloro-5'-deoxyadenosine--water (1/1) | (2R,3R,4S,5S)-2-(6-A

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

(2R, 3R, 4S, 5S)-2-(6-aminopurin-9-yl)-5-(chloromethyl)oxolane-3, 4-diol;hydrate | 5'-Chloro-5'-deoxyadenosine hydrate, 97% | PD070071 | 5/'-chloro-5/'-Deoxyadenosine (hydrate) | DTXSID00584239 | 5'-Chloro-5'-deoxyadenosine--water (1/1) | (2R, 3R, 4S, 5S)-2-(6-A

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504768249
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768249
• Sonrisas canónicas: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CCl)O)O)N.O
• IUPAC Name: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(chloromethyl)oxolane-3,4-diol;hydrate
• InChIKey: XFACRIDKAAYORV-MCDZGGTQSA-N
• INCHI: 1S/C10H12ClN5O3.H2O/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16;/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14);1H2/t4-,6-,7-,10-;/m1./s1
• Isómeros SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N.O
• PubChem CID: 16217084
• Peso molecular: 285.69 (anhydrous basis)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Clase 5'-deoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Clase: 5'-deoxyribonucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: 5'-deoxyribonucleosides
• Alternative Parents: Glycosylamines Pentoses 6-aminopurines Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Tetrahydrofurans Heteroaromatic compounds Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Organochlorides Primary amines Organopnictogen compounds Alkyl chlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5'-deoxyribonucleoside - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Pentose monosaccharide - Purine - Imidazopyrimidine - Aminopyrimidine - N-substituted imidazole - Monosaccharide - Imidolactam - Pyrimidine - Azole - Heteroaromatic compound - Tetrahydrofuran - Imidazole - 1,2-diol - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Primary amine - Alcohol - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Alkyl halide - Alkyl chloride - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 5'-deoxyribonucleosides. These are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives.
• 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

Propiedades químicas y físicas

• Peso molecular: 303.700 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 303.073 Da
• Monoisotopic Mass: 303.073 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 338.000
• 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: 2

XLogP3