Chem
J-GLOBAL ID:200907002840979957   Nikkaji number:J1.024.781K

(1S)-1-(6-Methyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole-3-yl)-1-O,2-O,3-O,4-O,5-O,6-O-hexaacetyl-D-glucitol

(1S)-1-(6-メチル-1,2,4-トリアゾロ[3,4-b][1,3,4]チアジアゾール-3-イル)-1-O,2-O,3-O,4-O,5-O,6-O-ヘキサアセチル-D-グルシトール
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: C22H28N4O12S
Molecular formula furigana: C22-H28-N4-O12-S
Molecular weight: 572.540
InChI: InChI=1S/C22H28N4O12S/c1-9-25-26-21(23-24-22(26)39-9)20(38-15(7)32)19(37-14(6)31)18(36-13(5)30)17(35-12(4)29)16(34-11(3)28)8-33-10(2)27/h16-20H,8H2,1-7H3/t16-,17-,18+,19-,20-/m1/s1
InChI key: SCLQTLAANMDKOU-OUUBHVDSSA-N
SMILES: CC(=O)OC[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H](OC(=O)C)c1nnc2sc(C)nn12
Systematic name  (3):
  • (1S)-1-(6-メチル-1,2,4-トリアゾロ[3,4-b][1,3,4]チアジアゾール-3-イル)-1-O,2-O,3-O,4-O,5-O,6-O-ヘキサアセチル-D-グルシトール
  • (2R,3R,4R,5S,6S)-1,2,4,5,6-ペンタキス(アセチルオキシ)-6-{6-メチル-[1,2,4]トリアゾロ[3,4-b][1,3,4]チアジアゾール-3-イル}ヘキサン-3-イル アセタート
  • (2R,3R,4R,5S,6S)-1,2,4,5,6-pentakis(acetyloxy)-6-{6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}hexan-3-yl acetate
Other name (1):
  • (1S)-1-(6-Methyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole-3-yl)-1-O,2-O,3-O,4-O,5-O,6-O-hexaacetyl-D-glucitol
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