2'-F-Ac-dC - for DNA synthesis, Suitable for molecular biology, ≥98% , CAS No.159414-97-8

CAS: 159414-97-8 Cat. No.: N777572 Molecular Weight: 287.25

GRADE & PURITY Suitable for molecular biology, for DNA synthesis, ≥98%

Synonyms

N-Acetyl-2′-deoxy-2′-fluorocytidine; N4-Acetyl-2'-fluoro-2'-deoxycytidine | N4-Acetyl-2'-deoxy-2'-fluorocytidine; N-[1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide | N-(1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5

Storage

Room temperature

Shipped In

Normal

Overview

2'-F-AC-C (N-acetyl-2'-deoxy-2'-fluorocytidine) is a nucleotide analogue, which can be used to synthesize oligonucleotides.

Specifications

Synonyms

N-Acetyl-2′-deoxy-2′-fluorocytidine; N4-Acetyl-2'-fluoro-2'-deoxycytidine | N4-Acetyl-2'-deoxy-2'-fluorocytidine; N-[1-[(2R, 3R, 4R, 5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide | N-(1-((2R, 3R, 4R, 5R)-3-fluoro-4-hydroxy-5

Specifications & Purity

for DNA synthesis, Suitable for molecular biology, ≥98%

Storage

Room temperature

Shipped In

Normal

Grade

for DNA synthesis, Suitable for molecular biology

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 528766234
• Canonical Smiles: CC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)F
• IUPAC Name: N-[1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
• InChIKey: NLXVKEFNBVLDLD-PEBGCTIMSA-N
• INCHI: 1S/C11H14FN3O5/c1-5(17)13-7-2-3-15(11(19)14-7)10-8(12)9(18)6(4-16)20-10/h2-3,6,8-10,16,18H,4H2,1H3,(H,13,14,17,19)/t6-,8-,9-,10-/m1/s1
• Isomeric SMILES: CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)F
• Molecular Weight: 287.25

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Pyrimidine nucleosides
• Subclass: Pyrimidine 2'-deoxyribonucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine 2'-deoxyribonucleosides
• Alternative Parents: N-acetylarylamines Pyrimidones Hydropyrimidines Imidolactams Acetamides Heteroaromatic compounds Oxolanes Secondary alcohols Secondary carboxylic acid amides Fluorohydrins Oxacyclic compounds Azacyclic compounds Organic oxides Primary alcohols Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organofluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine 2'-deoxyribonucleoside - N-acetylarylamine - N-arylamide - Pyrimidone - Hydropyrimidine - Pyrimidine - Imidolactam - Oxolane - Heteroaromatic compound - Acetamide - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Fluorohydrin - Halohydrin - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alcohol - Primary alcohol - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Alkyl halide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. These are compounds consisting of a pyrimidine 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

Chemical and Physical Properties

• Molecular Weight: 287.240 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 287.092 Da
• Monoisotopic Mass: 287.092 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 481.000
• 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