DMT-2'-F-Ac-C - for DNA synthesis, Suitable for molecular biology, ≥98% , CAS No.159414-98-9

CAS: 159414-98-9 Cat. No.: N777570 Molecular Weight: 589.62

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

Synonyms

5'-O-DMT-3'-O-TBDMS-Ac-rC; N-(1-((2R,3R,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3-fluoro-4-hydroxytetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)acetamide | N-Acetyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoro-cytidine

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

DMT-2'-F-Ac-C is a modified nucleoside and can be used to synthesize DNA or RNA.

Specifications

Synonyms

5'-O-DMT-3'-O-TBDMS-Ac-rC; N-(1-((2R, 3R, 4R, 5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3-fluoro-4-hydroxytetrahydrofuran-2-yl)-2-oxo-1, 2-dihydropyrimidin-4-yl)acetamide | N-Acetyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoro-cytidine

Specifications & Purity

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

Stability And Storage

Store at room temperature (24 months).

Storage

Room temperature, Argon charged

Shipped In

Normal

Grade

for DNA synthesis, Suitable for molecular biology

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 528766235
• Canonical Smiles: CC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O)F
• IUPAC Name: N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
• InChIKey: JIFNUYITABZZQS-PYYPWFDZSA-N
• INCHI: 1S/C32H32FN3O7/c1-20(37)34-27-17-18-36(31(39)35-27)30-28(33)29(38)26(43-30)19-42-32(21-7-5-4-6-8-21,22-9-13-24(40-2)14-10-22)23-11-15-25(41-3)16-12-23/h4-18,26,28-30,38H,19H2,1-3H3,(H,34,35,37,39)/t26-,28-,29-,30-/m1/s1
• Isomeric SMILES: CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O)F
• Molecular Weight: 589.62

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 N-acetylarylamines Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Pyrimidones Hydropyrimidines Imidolactams Acetamides Oxolanes Heteroaromatic compounds Fluorohydrins Secondary carboxylic acid amides Secondary alcohols Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organofluorides Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triphenyl compound - Pyrimidine 2'-deoxyribonucleoside - Pyrimidine nucleoside - N-acetylarylamine - Benzylether - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Oxolane - Acetamide - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Halohydrin - Fluorohydrin - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Alkyl fluoride - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Organooxygen compound - Organic nitrogen compound - 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

• Molecular Weight: 589.600 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 589.222 Da
• Monoisotopic Mass: 589.222 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 994.000
• 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