β-D-Ribofuranose analogue 1

Catalog No. :
ACGDAX981
CAS No. :
89129-10-2
Molecular Formula :
C21H28F3N3O8S
Molecular Weight :
539.53

IUPAC Name:tert-butyl N-((1-((3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)-N-(2,2,2-trifluoroacetyl)glycinate

β-D-Ribofuranose analogue 1 structure diagram
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Product Information

Product Nameβ-D-Ribofuranose analogue 1
IUPAC Nametert-butyl N-((1-((3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)-N-(2,2,2-trifluoroacetyl)glycinate
Molecular FormulaC21H28F3N3O8S
Molecular Weight539.53
SMILESO=C(OC(C)(C)C)CN(CC1=CN([C@H]2[C@@H]([C@@H]([C@@H](CO)O2)O3)OC3(C)C)C(NC1=O)=S)C(C(F)(F)F)=O
InChI KeyDRDPZVPTYQHFTB-XKVFNRALSA-N
Synonym5-(N-t-Butyloxycarbonylmethyl)-N-(trifluoroacetyl) aminomethyl)-2-thiouridine;[[1-((3aR,4R,6R,6aR)-6-Hydroxymethyl-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethyl]-(2,2,2-trifluoro-acetyl)-amino]-acetic acid tert-butyl ester;Glycine, N-[[1,2,3,4-tetrahydro-1-[2,3-O-(1-methylethylidene)-β-D-ribofuranosyl]-4-oxo-2-thioxo-5-pyrimidinyl]methyl]-N-(trifluoroacetyl)-, 1,1-dimethylethyl ester (9CI);β-D-Ribofuranose analogue 1
CAS No.89129-10-2

Synthetic Route by SureRoute

1. ACGDAX981 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACGDAX981 route product structure diagram
    ACGDAX98189129-10-2
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2. ACGDAX981 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACGDAX981 route product structure diagram
    ACGDAX98189129-10-2
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