DMT-2′Fluoro-dU Phosphoramidite - ≥98%(mixture of isomers) , CAS No.146954-75-8

CAS: 146954-75-8 Cat. No.: D646662 Formula: C₃₉H₄₆FN₄O₈P Molecular Weight: 748.78 EC Number: 890-263-5

GRADE & PURITY ≥98%(mixture of isomers)

Synonyms

C72792 | DMT-2 inverted exclamation markaFluoro-dU Phosphoramidite | 2'-F-dU Phosphoramidite | AC-26620 | NSC-122300 | 5'-O-(4,4'-Dimethoxytrityl)-2'-fluoro-2'-deoxyuridine-3'-(2-cyanoethyl diisopropylphosphoramidite) | DMT-2'Fluoro-dU Phosphoramidite, co

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

DMT-2′Fluoro-dU Phosphoramidite could be used for nucleoside modification.

Form:Solid

Specifications

Synonyms

C72792 | DMT-2 inverted exclamation markaFluoro-dU Phosphoramidite | 2'-F-dU Phosphoramidite | AC-26620 | NSC-122300 | 5'-O-(4,4'-Dimethoxytrityl)-2'-fluoro-2'-deoxyuridine-3'-(2-cyanoethyl diisopropylphosphoramidite) | DMT-2'Fluoro-dU Phosphoramidite, co

Specifications & Purity

≥98%(mixture of isomers)

Biochemical and Physiological Mechanisms

DMT-2′Fluoro-dU Phosphoramidite could be used for nucleoside modification.

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%(mixture of isomers)

Names and Identifiers

Pubchem Sid

528764210

Canonical Smiles

CC(C)N(C(C)C)P(OCCC#N)OC1C(OC(C1F)N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC

IUPAC Name

3-[[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

InChIKey

HQHQPAYRJJMYQX-DJTPZYMWSA-N

INCHI

1S/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-24-10-22-41)52-36-33(51-37(35(36)40)43-23-21-34(45)42-38(43)46)25-49-39(28-11-8-7-9-12-28,29-13-17-31(47-5)18-14-29)30-15-19-32(48-6)20-16-30/h7-9,11-21,23,26-27,33,35-37H,10,24-25H2,1-6H3,(H,42,45,46)/t33-,35-,36-,37-,53?/m1/s1

Isomeric SMILES

CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@@H]1F)N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC

Alternate CAS

146954-75-8

Molecular Weight

748.78

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: Ribonucleoside phosphoramidites Benzylethers Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Pyrimidones Hydropyrimidines Vinylogous amides Oxolanes Heteroaromatic compounds Lactams Ureas Oxacyclic compounds Dialkyl ethers Azacyclic compounds Nitriles Hydrocarbon derivatives Alkyl fluorides Organofluorides Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triphenyl compound - Ribonucleoside phosphoramidite - Benzylether - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Oxolane - Urea - Lactam - Organoheterocyclic compound - Oxacycle - Azacycle - Dialkyl ether - Ether - Carbonitrile - Nitrile - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Cyanide - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Alkyl halide - 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

• Solubility: DMSO : 100 mg/mL (133.55 mM; Need ultrasonic)
• Sensitivity: Heat sensitive; Moisture sensitive
• Molecular Weight: 748.800 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 17
• Exact Mass: 748.304 Da
• Monoisotopic Mass: 748.304 Da
• Topological Polar Surface Area: 132.000 Ų
• Heavy Atom Count: 53
• Formal Charge: 0
• Complexity: 1230.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1