DMT-2'Fluoro-DG(IB) Amidite - ≥99%(Mixture of isomers) , CAS No.144089-97-4

CAS: 144089-97-4 Cat. No.: D651230 Molecular Weight: 857.91 EC Number: 890-260-9 PubChem CID: 135448972

GRADE & PURITY ≥99%(Mixture of isomers)

Synonyms

2'-FLUORO-N2-ISOBUTYRYL-5'-O-DMT-2'-DEOXYGUANOSINE-3'-CE-PHOSPHORAMIDITE | 5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-3'-O-[(2-cyanoethoxy)(diisopropylamino)phosphino]-2'-deoxy-2'-fluoro-N-isobutyrylguanosine | (2R,3R,4R,5R)-2-((bis(4-methoxyphenyl)(phenyl

Storage

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

Shipped In

Ice chest + Ice pads

Overview

DMT-2'Fluoro-DG(IB) Amidite (2'-F-ibu-dG Phosphoramidite) is a nucleoside that can be used in the preparation of 4'-modified 2'-deoxy-2'-fluorouridine.

Form:Solid

Specifications

Synonyms

2'-FLUORO-N2-ISOBUTYRYL-5'-O-DMT-2'-DEOXYGUANOSINE-3'-CE-PHOSPHORAMIDITE | 5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-3'-O-[(2-cyanoethoxy)(diisopropylamino)phosphino]-2'-deoxy-2'-fluoro-N-isobutyrylguanosine | (2R, 3R, 4R, 5R)-2-((bis(4-methoxyphenyl)(phenyl

Specifications & Purity

≥99%(Mixture of isomers)

Biochemical and Physiological Mechanisms

DMT-2'Fluoro-DG(IB) Amidite (2'-F-ibu-dG Phosphoramidite) is a nucleoside that can be used in the preparation of 4'-modified 2'-deoxy-2'-fluorouridine.

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

≥99%(Mixture of isomers)

Names and Identifiers

• Pubchem Sid: 528764209
• Canonical Smiles: CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCC#N)F
• IUPAC Name: N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
• InChIKey: KJFUMXZZVYMQEU-AOCJBPQJSA-N
• INCHI: 1S/C44H53FN7O8P/c1-27(2)40(53)49-43-48-39-37(41(54)50-43)47-26-51(39)42-36(45)38(60-61(58-24-12-23-46)52(28(3)4)29(5)6)35(59-42)25-57-44(30-13-10-9-11-14-30,31-15-19-33(55-7)20-16-31)32-17-21-34(56-8)22-18-32/h9-11,13-22,26-29,35-36,38,42H,12,24-25H2,1-8H3,(H2,48,49,50,53,54)/t35-,36-,38-,42-,61?/m1/s1
• Isomeric SMILES: CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCC#N)F
• PubChem CID: 135448972
• Molecular Weight: 857.91

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 6-oxopurines Hypoxanthines Benzylethers Phenoxy compounds Anisoles Methoxybenzenes N-arylamides Alkyl aryl ethers Pyrimidones N-substituted imidazoles Vinylogous amides Oxolanes Heteroaromatic compounds Secondary carboxylic acid amides Dialkyl ethers Oxacyclic compounds Azacyclic compounds Nitriles Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organofluorides Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triphenyl compound - Ribonucleoside phosphoramidite - 6-oxopurine - Hypoxanthine - Imidazopyrimidine - Purine - Benzylether - Phenoxy compound - Phenol ether - N-arylamide - Anisole - Methoxybenzene - Pyrimidone - Alkyl aryl ether - Pyrimidine - N-substituted imidazole - Monocyclic benzene moiety - Oxolane - Vinylogous amide - Imidazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organoheterocyclic compound - Carbonitrile - Nitrile - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Cyanide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Aromatic heteropolycyclic 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 (116.56 mM; Need ultrasonic)
• Sensitivity: Heat sensitive; Light sensitive; Moisture sensitive
• Molecular Weight: 857.900 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 19
• Exact Mass: 857.368 Da
• Monoisotopic Mass: 857.368 Da
• Topological Polar Surface Area: 171.000 Ų
• Heavy Atom Count: 61
• Formal Charge: 0
• Complexity: 1480.000
• 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