Dmt-2'-f-dc(ac) amidite - ≥99%(Mixture of isomers) , CAS No.159414-99-0

CAS: 159414-99-0 Cat. No.: D650526 Molecular Weight: 789.83 EC Number: 890-261-4 PubChem CID: 67090252

GRADE & PURITY ≥99%(Mixture of isomers)

Synonyms

DMT-2'Fluoro-dC(ac) Phosphoramidite, configured for (??KTA(R) and OligoPilot(R)) | HY-45491 | 2'-F-Ac-dCPhosphoramidite | C41H49FN5O8P | Dmt-2'-f-dc(ac) amidite | DMT-2/'-F-DC(AC) AMIDITE 0.25G, AB, SINGL | (2R,3R,4R,5R)-5-(4-Acetamido-2-oxopyrimidin-1(2H

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Dmt-2'-f-dc(ac) amidite (2'-F-Ac-dC Phosphoramidite) is a phosphoramidite which can be used in the preparation of cyclic purine dinucleotides.

Form:Solid

Specifications

Synonyms

DMT-2'Fluoro-dC(ac) Phosphoramidite, configured for (??KTA(R) and OligoPilot(R)) | HY-45491 | 2'-F-Ac-dCPhosphoramidite | C41H49FN5O8P | Dmt-2'-f-dc(ac) amidite | DMT-2/'-F-DC(AC) AMIDITE 0.25G, AB, SINGL | (2R, 3R, 4R, 5R)-5-(4-Acetamido-2-oxopyrimidin-1(2H

Specifications & Purity

≥99%(Mixture of isomers)

Biochemical and Physiological Mechanisms

Dmt-2'-f-dc(ac) amidite (2'-F-Ac-dC Phosphoramidite) is a phosphoramidite which can be used in the preparation of cyclic purine dinucleotides.

Storage

Protected from light, Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Purity

≥99%(Mixture of isomers)

Names and Identifiers

• Canonical Smiles: CC(C)N(C(C)C)P(OCCC#N)OC1C(OC(C1F)N2C=CC(=NC2=O)NC(=O)C)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
• IUPAC Name: N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
• InChIKey: CNFKJHKDSRXNFL-UTXREMQHSA-N
• INCHI: 1S/C41H49FN5O8P/c1-27(2)47(28(3)4)56(53-25-11-23-43)55-38-35(54-39(37(38)42)46-24-22-36(44-29(5)48)45-40(46)49)26-52-41(30-12-9-8-10-13-30,31-14-18-33(50-6)19-15-31)32-16-20-34(51-7)21-17-32/h8-10,12-22,24,27-28,35,37-39H,11,25-26H2,1-7H3,(H,44,45,48,49)/t35-,37-,38-,39-,56?/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(=NC2=O)NC(=O)C)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
• PubChem CID: 67090252
• Molecular Weight: 789.83

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 N-acetylarylamines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Pyrimidones Hydropyrimidines Imidolactams Acetamides Heteroaromatic compounds Oxolanes Secondary carboxylic acid amides Dialkyl ethers Oxacyclic compounds Azacyclic compounds Nitriles Organofluorides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triphenyl compound - Ribonucleoside phosphoramidite - Benzylether - N-acetylarylamine - N-arylamide - Phenol ether - Methoxybenzene - Phenoxy compound - Anisole - Pyrimidone - Alkyl aryl ether - Hydropyrimidine - Pyrimidine - Monocyclic benzene moiety - Imidolactam - Heteroaromatic compound - Oxolane - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - 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 (126.61 mM; Need ultrasonic)
• Sensitivity: Light sensitive; Moisture sensitive
• Molecular Weight: 789.800 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 18
• Exact Mass: 789.33 Da
• Monoisotopic Mass: 789.33 Da
• Topological Polar Surface Area: 144.000 Ų
• Heavy Atom Count: 56
• Formal Charge: 0
• Complexity: 1360.000
• 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