N4-Benzoyl-5′-O-(4,4′-dimethoxytrityl)-2′-deoxycytidine - ≥99% , CAS No.67219-55-0

CAS: 67219-55-0 Cat. No.: B119471 Molecular Weight: 633.69 Beilstein Registry Number: 601627 EC Number: 266-605-9 PubChem CID: 2724490

GRADE & PURITY ≥99%

Synonyms

MFCD00010114 | AC-32197 | HY-W010706 | SCHEMBL5358852 | N4 -Benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxycytidine | N4-Benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxycytidine | N-Benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxycytidine | AKOS015839059 | N-[1-[(2R

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Research tool for anti-viral and anti-cancer studies

Specifications

Synonyms

MFCD00010114 | AC-32197 | HY-W010706 | SCHEMBL5358852 | N4 -Benzoyl-5'-O-(4, 4'-dimethoxytrityl)-2'-deoxycytidine | N4-Benzoyl-5'-O-(4, 4'-dimethoxytrityl)-2'-deoxycytidine | N-Benzoyl-5'-O-(4, 4'-dimethoxytrityl)-2'-deoxycytidine | AKOS015839059 | N-[1-[(2R

Specifications & Purity

≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504760890
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760890
• Canonical Smiles: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)O
• IUPAC Name: N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
• InChIKey: MYSNCIZBPUPZMQ-VOTWKOMSSA-N
• INCHI: 1S/C37H35N3O7/c1-44-29-17-13-27(14-18-29)37(26-11-7-4-8-12-26,28-15-19-30(45-2)20-16-28)46-24-32-31(41)23-34(47-32)40-22-21-33(39-36(40)43)38-35(42)25-9-5-3-6-10-25/h3-22,31-32,34,41H,23-24H2,1-2H3,(H,38,39,42,43)/t31-,32+,34+/m0/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[C@@H](O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)O
• WGK Germany: 1
• PubChem CID: 2724490
• Molecular Weight: 633.69
• Beilstein: 601627
• Reaxy-Rn: 601627

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 Benzamides Benzylethers Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Pyrimidones Imidolactams Hydropyrimidines Heteroaromatic compounds Tetrahydrofurans Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Dialkyl ethers Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triphenyl compound - Pyrimidine 2'-deoxyribonucleoside - Pyrimidine nucleoside - Benzylether - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Phenol ether - Methoxybenzene - Anisole - Benzoyl - Pyrimidone - Alkyl aryl ether - Hydropyrimidine - Imidolactam - Pyrimidine - Monocyclic benzene moiety - Tetrahydrofuran - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Oxacycle - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen 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

• Sensitivity: Light Sensitive,Hygroscopic
• Specific Rotation[α]: +56.0 to +60.0°(C=1, MeOH)
• Melt Point(°C): 119°C
• Molecular Weight: 633.700 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 633.248 Da
• Monoisotopic Mass: 633.248 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 1080.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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