2'-TBDMS-rU - ≥98% , CAS No.54925-71-2

CAS: 54925-71-2 Cat. No.: T1027475 PubChem CID: 11233661

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(=O)NC2=O)CO)O
• IUPAC Name: 1-[(2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
• InChIKey: AYQZFVZTNUOLCQ-OJAKKHQRSA-N
• INCHI: 1S/C15H26N2O6Si/c1-15(2,3)24(4,5)23-12-11(20)9(8-18)22-13(12)17-7-6-10(19)16-14(17)21/h6-7,9,11-13,18,20H,8H2,1-5H3,(H,16,19,21)/t9-,11-,12-,13-/m1/s1
• Isomeric SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O
• Alternate CAS: 54925-71-2
• PubChem CID: 11233661

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Pyrimidine nucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Pyrimidine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine nucleosides
• Alternative Parents: Glycosylamines Pentoses Pyrimidones Hydropyrimidines Vinylogous amides Trialkylheterosilanes Heteroaromatic compounds Oxolanes Ureas Silyl ethers Secondary alcohols Lactams Organic metalloid salts Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Primary alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine nucleoside - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Pyrimidone - Hydropyrimidine - Monosaccharide - Pyrimidine - Trialkylheterosilane - Oxolane - Heteroaromatic compound - Vinylogous amide - Lactam - Silyl ether - Secondary alcohol - Urea - Organoheterosilane - Oxacycle - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxide - Alcohol - Primary alcohol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organosilicon compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidine nucleosides. These are compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl 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: 358.460 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 358.156 Da
• Monoisotopic Mass: 358.156 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 545.000
• 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

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