2'-Deoxy-5'-O-DMT-2'-fluorouridine - ≥98% , CAS No.146954-74-7

CAS: 146954-74-7 Cat. No.: D122957 Molecular Weight: 548.56

GRADE & PURITY ≥98%

Synonyms

2'-Deoxy-5'-O-DMT-2'-fluorouridine | MFCD06657648 | AKOS005444204 | DTXSID40427732 | SCHEMBL4582323 | W-201302 | HY-W008662 | 2'-Deoxy-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-fluorouridine | AC-32230 | 2'-Fluoro-5'-O-DMT-uridine | 5'-O-(4,4'-dimethoxyt

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

2'-Deoxy-5'-O-DMT-2'-fluorouridine, a nucleoside analogue, is a 5’-O-DMTr-5-FUDR derivative with potent anti-yellow fever (YFV) activity.

Specifications

Synonyms

2'-Deoxy-5'-O-DMT-2'-fluorouridine | MFCD06657648 | AKOS005444204 | DTXSID40427732 | SCHEMBL4582323 | W-201302 | HY-W008662 | 2'-Deoxy-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-fluorouridine | AC-32230 | 2'-Fluoro-5'-O-DMT-uridine | 5'-O-(4, 4'-dimethoxyt

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(C(C(O4)N5C=CC(=O)NC5=O)F)O
• IUPAC Name: 1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
• InChIKey: CSSFZSSZXOCCJB-YULOIDQLSA-N
• INCHI: 1S/C30H29FN2O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38-2)15-11-21)39-18-24-27(35)26(31)28(40-24)33-17-16-25(34)32-29(33)36/h3-17,24,26-28,35H,18H2,1-2H3,(H,32,34,36)/t24-,26-,27-,28-/m1/s1
• Isomeric SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)F)O
• Molecular Weight: 548.56
• Reaxy-Rn: 32764278
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32764278&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Pyrimidine 2'-deoxyribonucleosides Benzylethers Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Pyrimidones Hydropyrimidines Vinylogous amides Oxolanes Heteroaromatic compounds Ureas Secondary alcohols Fluorohydrins Lactams Dialkyl ethers Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Alkyl fluorides Organonitrogen compounds Organofluorides Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triphenyl compound - Pyrimidine 2'-deoxyribonucleoside - Pyrimidine nucleoside - Benzylether - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Hydropyrimidine - Monocyclic benzene moiety - Pyrimidine - Oxolane - Heteroaromatic compound - Vinylogous amide - Lactam - Fluorohydrin - Halohydrin - Secondary alcohol - Urea - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Azacycle - Ether - Organopnictogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Organic nitrogen compound - Organic oxygen compound - Alcohol - Alkyl halide - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl 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

Chemical and Physical Properties

• Sensitivity: Heat sensitive，Light sensitive
• Molecular Weight: 548.600 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 548.196 Da
• Monoisotopic Mass: 548.196 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 872.000
• 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