1-[(2R,3R,4S,5R)-4-benzyloxy-5-(benzyloxymethyl)-5-(fluoromethyl)-3-hydroxy-tetrahydrofuran-2-yl]pyrimidine-2,4-dione - ≥97% , CAS No.200066-88-2

CAS: 200066-88-2 Cat. No.: P631362 Molecular Weight: 456.46 PubChem CID: 122516448

GRADE & PURITY ≥97%

Synonyms

200066-88-2 | 1-[(2R,3R,4S,5R)-4-Benzyloxy-5-(benzyloxymethyl)-5-(fluoromethyl)-3-hydroxy-tetrahydrofuran-2-yl]pyrimidine-2,4-dione | 1-((2R,3R,4S,5R)-4-(Benzyloxy)-5-((benzyloxy)methyl)-5-(fluoromethyl)-3-hydroxytetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

200066-88-2 | 1-[(2R, 3R, 4S, 5R)-4-Benzyloxy-5-(benzyloxymethyl)-5-(fluoromethyl)-3-hydroxy-tetrahydrofuran-2-yl]pyrimidine-2, 4-dione | 1-((2R, 3R, 4S, 5R)-4-(Benzyloxy)-5-((benzyloxy)methyl)-5-(fluoromethyl)-3-hydroxytetrahydrofuran-2-yl)pyrimidine-2, 4(1H, 3H)

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)COCC2(C(C(C(O2)N3C=CC(=O)NC3=O)O)OCC4=CC=CC=C4)CF
• IUPAC Name: 1-[(2R,3R,4S,5R)-5-(fluoromethyl)-3-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
• InChIKey: WJCNIYZWARRXQP-JTOYRKQZSA-N
• INCHI: 1S/C24H25FN2O6/c25-15-24(16-31-13-17-7-3-1-4-8-17)21(32-14-18-9-5-2-6-10-18)20(29)22(33-24)27-12-11-19(28)26-23(27)30/h1-12,20-22,29H,13-16H2,(H,26,28,30)/t20-,21+,22-,24-/m1/s1
• PubChem CID: 122516448
• Molecular Weight: 456.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Glycosylamines

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Glycosylamines
• Alternative Parents: Pentoses Benzylethers Pyrimidones Hydropyrimidines Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Dicarboximides Secondary alcohols Organic carbonic acids and derivatives Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-glycosyl compound - Pentose monosaccharide - Benzylether - Pyrimidone - Benzenoid - Pyrimidine - Monosaccharide - 1,2,3,4-tetrahydropyrimidine - Hydropyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Tetrahydrofuran - Dicarboximide - Secondary alcohol - Carbonic acid derivative - Lactam - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as glycosylamines. These are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether).
• 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