5′-Deoxy-5′-iodothymidine - ≥95% , CAS No.25953-14-4

CAS: 25953-14-4 Cat. No.: D341386 Formula: C₁₀H₁₃IN₂O₄ Molecular Weight: 352.13

GRADE & PURITY ≥95%

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Specifications & Purity

≥95%

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.

Purity

≥95%

Names and Identifiers

Pubchem Sid

488196510

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196510

Canonical Smiles

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CI)O

IUPAC Name

1-[(2R,4S,5S)-4-hydroxy-5-(iodomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

InChIKey

LEQXAJKTJWCXEC-XLPZGREQSA-N

INCHI

1S/C10H13IN2O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CI)O

Molecular Weight

352.13

Reaxy-Rn

25337354

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25337354&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class 2',5'-dideoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: 2',5'-dideoxyribonucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: 2',5'-dideoxyribonucleosides
• Alternative Parents: Pyrimidones Hydropyrimidines Vinylogous amides Heteroaromatic compounds Tetrahydrofurans Ureas Secondary alcohols Lactams Azacyclic compounds Oxacyclic compounds Organoiodides Organic oxides Alkyl iodides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2',5'-dideoxyribonucleoside - Pyrimidone - Hydropyrimidine - Pyrimidine - Tetrahydrofuran - Vinylogous amide - Heteroaromatic compound - Lactam - Urea - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Alcohol - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Alkyl halide - Organic nitrogen compound - Alkyl iodide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2',5'-dideoxyribonucleosides. These are nucleosides characterized by a purine or pyrimidine base, which is N-linked to a 2',5'-dideoxyribose moiety.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 352.130 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 351.992 Da
• Monoisotopic Mass: 351.992 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 385.000
• 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