5′-O-(4,4′-Dimethoxytrityl)thymidine - ≥98% , CAS No.40615-39-2

CAS: 40615-39-2 Cat. No.: O117684 Molecular Weight: 544.59 Beilstein Registry Number: 599297 EC Number: 255-003-1

GRADE & PURITY ≥98%

Synonyms

DMT-T | 5'--O--(4,4'-dimethyoxytrityl) thymidine | Thymidine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]- | 5'-O-(4,4'-Dimethoxytrityl)thymidine, 98% | SCHEMBL1775528 | UBTJZUKVKGZHAD-UPRLRBBYSA-N | 1-(2'Deoxy-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-b-D-lyxo

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

5′-O-(4,4′-Dimethoxytrityl)thymidine is a pyrimidine.

Specifications

Synonyms

DMT-T | 5'--O--(4, 4'-dimethyoxytrityl) thymidine | Thymidine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]- | 5'-O-(4, 4'-Dimethoxytrityl)thymidine, 98% | SCHEMBL1775528 | UBTJZUKVKGZHAD-UPRLRBBYSA-N | 1-(2'Deoxy-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-b-D-lyxo

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O
• IUPAC Name: 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
• InChIKey: UBTJZUKVKGZHAD-UPRLRBBYSA-N
• INCHI: 1S/C31H32N2O7/c1-20-18-33(30(36)32-29(20)35)28-17-26(34)27(40-28)19-39-31(21-7-5-4-6-8-21,22-9-13-24(37-2)14-10-22)23-11-15-25(38-3)16-12-23/h4-16,18,26-28,34H,17,19H2,1-3H3,(H,32,35,36)/t26-,27+,28+/m0/s1
• Isomeric SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O
• WGK Germany: 3
• Molecular Weight: 544.59
• Beilstein: 599297
• Reaxy-Rn: 5323829
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5323829&ln=

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 Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Pyrimidones Hydropyrimidines Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Lactams Secondary alcohols Ureas Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triphenyl compound - Pyrimidine 2'-deoxyribonucleoside - Pyrimidine nucleoside - Benzylether - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Tetrahydrofuran - Heteroaromatic compound - Vinylogous amide - Urea - Secondary alcohol - Lactam - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Alcohol - Organic oxide - Hydrocarbon derivative - 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Heat & Moisture Sensitive
• Specific Rotation[α]: 7 ° (C=1, MeOH)
• Melt Point(°C): 114-116°C
• Molecular Weight: 544.600 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 544.221 Da
• Monoisotopic Mass: 544.221 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 879.000
• 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