5'-O-DMT-2'-O-TBDMS-Bz-rC - ≥98% , CAS No.81256-87-3

CAS: 81256-87-3 Cat. No.: O725430 PubChem CID: 11029064

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)(C)[Si](C)(C)OC1C(C(OC1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
• IUPAC Name: N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
• InChIKey: AOXWVTIMEGOVNF-PKGPUZNISA-N
• INCHI: 1S/C43H49N3O8Si/c1-42(2,3)55(6,7)54-38-37(47)35(53-40(38)46-27-26-36(45-41(46)49)44-39(48)29-14-10-8-11-15-29)28-52-43(30-16-12-9-13-17-30,31-18-22-33(50-4)23-19-31)32-20-24-34(51-5)25-21-32/h8-27,35,37-38,40,47H,28H2,1-7H3,(H,44,45,48,49)/t35-,37-,38-,40-/m1/s1
• Isomeric SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
• Alternate CAS: 81256-87-3
• PubChem CID: 11029064

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 nucleosides Glycosylamines Pentoses Benzylethers Benzamides Methoxybenzenes Benzoyl derivatives Anisoles Phenoxy compounds Alkyl aryl ethers Pyrimidones Hydropyrimidines Imidolactams Trialkylheterosilanes Heteroaromatic compounds Oxolanes Secondary carboxylic acid amides Silyl ethers Secondary alcohols Oxacyclic compounds Azacyclic compounds Organic metalloid salts Dialkyl ethers Organic oxides Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triphenyl compound - Pyrimidine nucleoside - N-glycosyl compound - Glycosyl compound - Pentose monosaccharide - Benzamide - Benzylether - Benzoic acid or derivatives - Benzoyl - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Monosaccharide - Hydropyrimidine - Imidolactam - Heteroaromatic compound - Trialkylheterosilane - Oxolane - Secondary alcohol - Secondary carboxylic acid amide - Silyl ether - Carboxamide group - Organoheterosilane - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Organosilicon compound - Organooxygen compound - Organic metalloid moeity - Organonitrogen 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: 763.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 14
• Exact Mass: 763.329 Da
• Monoisotopic Mass: 763.329 Da
• Topological Polar Surface Area: 128.000 Ų
• Heavy Atom Count: 55
• Formal Charge: 0
• Complexity: 1320.000
• 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

XLogP3