Chem
J-GLOBAL ID:200907010270695243   Nikkaji number:J2.475.298D

8-(2-Oxo-3,3,3-trifluoropropylidene)-1,2-(epithiomethanimino)-1,2-dideoxy-α-D-glucopyranose 3,4,6-triacetate

8-(2-オキソ-3,3,3-トリフルオロプロピリデン)-1,2-(エピチオメタノイミノ)-1,2-ジデオキシ-α-D-グルコピラノース3,4,6-トリアセタート
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C16H18F3NO8S
Molecular formula furigana: C16-H18-F3-N-O8-S
Molecular weight: 441.370
InChI: InChI=1S/C16H18F3NO8S/c1-6(21)25-5-9-13(26-7(2)22)14(27-8(3)23)12-15(28-9)29-11(20-12)4-10(24)16(17,18)19/h4,9,12-15,20H,5H2,1-3H3/t9-,12-,13-,14-,15-/m1/s1
InChI key: UBXVMDBRRDCAFJ-WMESBKTJSA-N
SMILES: CC(=O)OC[C@H]1O[C@@H]2SC(=CC(=O)C(F)(F)F)N[C@@H]2[C@@H](OC(=O)C)[C@@H]1OC(=O)C
Systematic name  (3):
  • 8-(2-オキソ-3,3,3-トリフルオロプロピリデン)-1,2-(エピチオメタノイミノ)-1,2-ジデオキシ-α-D-グルコピラノース3,4,6-トリアセタート
  • [(3aR,5R,6S,7R,7aR)-6,7-ビス(アセチルオキシ)-2-(3,3,3-トリフルオロ-2-オキソプロピリデン)-ヘキサヒドロ-1H-ピラノ[3,2-d][1,3]チアゾール-5-イル]メチル アセタート
  • [(3aR,5R,6S,7R,7aR)-6,7-bis(acetyloxy)-2-(3,3,3-trifluoro-2-oxopropylidene)-hexahydro-1H-pyrano[3,2-d][1,3]thiazol-5-yl]methyl acetate
Other name (1):
  • 8-(2-Oxo-3,3,3-trifluoropropylidene)-1,2-(epithiomethanimino)-1,2-dideoxy-α-D-glucopyranose 3,4,6-triacetate
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