2′-Deoxypseudouridine , CAS No.39967-60-7

CAS: 39967-60-7 Cat. No.: D337715 Fórmula: C₉H₁₂N₂O₅ Peso molecular: 228.21 PubChem CID: 10466304

Synonyms

DTXSID00440386 | 2,4(1H,3H)-Pyrimidinedione,5-(2-deoxy-b-D-erythro-pentofuranosyl)- | Deoxypseudouridine | 5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione | SCHEMBL658719 | 5-((2R,4S,5R)-4-hydroxy-5-(hydroxymet

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

DTXSID00440386 | 2,4(1H,3H)-Pyrimidinedione,5-(2-deoxy-b-D-erythro-pentofuranosyl)- | Deoxypseudouridine | 5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione | SCHEMBL658719 | 5-((2R,4S,5R)-4-hydroxy-5-(hydroxymet

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Nomes e identificadores

Sorrisos canónicos

C1C(C(OC1C2=CNC(=O)NC2=O)CO)O

IUPAC Name

5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione

InChIKey

ASOJEESZSWWNQK-RRKCRQDMSA-N

INCHI

1S/C9H12N2O5/c12-3-7-5(13)1-6(16-7)4-2-10-9(15)11-8(4)14/h2,5-7,12-13H,1,3H2,(H2,10,11,14,15)/t5-,6+,7+/m0/s1

SMILES isoméricas

C1[C@@H]([C@H](O[C@H]1C2=CNC(=O)NC2=O)CO)O

PubChem CID

10466304

Peso molecular

228.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Classe Nucleoside and nucleotide analogues

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: Nucleoside and nucleotide analogues
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Nucleoside and nucleotide analogues
• Alternative Parents: C-glycosyl compounds Pyrimidones Hydropyrimidines Vinylogous amides Oxolanes Heteroaromatic compounds Ureas Secondary alcohols Lactams Azacyclic compounds Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organonitrogen compounds Primary alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: C-glycosyl compound - Glycosyl compound - Pyrimidone - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Oxolane - Vinylogous amide - Lactam - Secondary alcohol - Urea - Azacycle - Ether - Dialkyl ether - Oxacycle - Organoheterocyclic compound - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as nucleoside and nucleotide analogues. These are analogues of nucleosides and nucleotides. These include phosphonated nucleosides, C-glycosylated nucleoside bases, analogues where the sugar unit is a pyranose, and carbocyclic nucleosides, among others.
• 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

Propriedades químicas e físicas

• Peso molecular: 228.200 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 228.075 Da
• Monoisotopic Mass: 228.075 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 354.000
• 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