2'-Chloro-2'-deoxyadenosine - ≥98% , CAS No.2627-62-5

CAS: 2627-62-5 Cat. No.: C996024 PubChem CID: 100327

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

정식 스마일

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)Cl)N

IUPAC Name

(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-chloro-2-(hydroxymethyl)oxolan-3-ol

InChIKey

ADXUXRNLBYKGOA-QYYRPYCUSA-N

INCHI

1S/C10H12ClN5O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1

이성체 SMILES

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)Cl)N

대체 CAS

2627-62-5

PubChem CID

100327

MeSH 용어

2'-cdA;2'-chloro-2'-deoxyadenosine;2'-deoxy-2'-chloroadenosine;NSC 105014-F

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • 분류 Purine nucleosides
      • Subclass Purine 2'-deoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• 분류: Purine nucleosides
• Subclass: Purine 2'-deoxyribonucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine 2'-deoxyribonucleosides
• Alternative Parents: 6-aminopurines Aminopyrimidines and derivatives Imidolactams N-substituted imidazoles Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Chlorohydrins Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Primary alcohols Alkyl chlorides Primary amines Organopnictogen compounds Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine 2'-deoxyribonucleoside - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - N-substituted imidazole - Imidolactam - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Tetrahydrofuran - Chlorohydrin - Halohydrin - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Azacycle - Alkyl chloride - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Alkyl halide - Primary amine - Primary alcohol - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as purine 2'-deoxyribonucleosides. These are compounds consisting of a purine linked to a ribose which lacks a hydroxyl group at position 2.
• 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

화학 및 물리적 특성

• 분자량: 285.690 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 285.063 Da
• Monoisotopic Mass: 285.063 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 19
• 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: 1