3'-Deoxyinosine - ≥99% , CAS No.13146-72-0

CAS: 13146-72-0 Cat. No.: D1065854 Formula: C₁₀H₁₂N₄O₄ Peso molecolare: 252.23 PubChem CID: 135513783

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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Purezza

≥99%

Nomi e identificatori

Sorrisi canonici

C1C(OC(C1O)N2C=NC3=C2N=CNC3=O)CO

IUPAC Name

9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one

InChIKey

RPZDLTVHZJHPAW-BAJZRUMYSA-N

INCHI

1S/C10H12N4O4/c15-2-5-1-6(16)10(18-5)14-4-13-7-8(14)11-3-12-9(7)17/h3-6,10,15-16H,1-2H2,(H,11,12,17)/t5-,6+,10+/m0/s1

Isomeri SMILES

C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C2N=CNC3=O)CO

CAS alternativo

13146-72-0

PubChem CID

135513783

Termini MeSH

3'-deoxyinosine

Peso molecolare

252.23

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: Purine nucleosides
• Subclass: Purine 3'-deoxyribonucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine 3'-deoxyribonucleosides
• Alternative Parents: Hypoxanthines 6-oxopurines Pyrimidones N-substituted imidazoles Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine 3'-deoxyribonucleoside - Purinone - Hypoxanthine - 6-oxopurine - Purine - Imidazopyrimidine - Pyrimidone - Pyrimidine - N-substituted imidazole - Heteroaromatic compound - Vinylogous amide - Tetrahydrofuran - Imidazole - Azole - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteropolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 252.230 g/mol
• XLogP3: -1.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 252.086 Da
• Monoisotopic Mass: 252.086 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 377.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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