Chem
J-GLOBAL ID:200907073181839896   Nikkaji number:J1.880.940K

Ethyl 2-(tetrachlorophthalimidyl)-3-O,4-O,6-O-triacetyl-1-thio-β-D-glucopyranoside

エチル2-(テトラクロロフタルイミジル)-3-O,4-O,6-O-トリアセチル-1-チオ-β-D-グルコピラノシド
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: C22H21Cl4NO10S
Molecular formula furigana: C22-H21-CL4-N-O10-S
Molecular weight: 633.270
InChI: InChI=1S/C22H21Cl4NO10S/c1-5-38-21-22(33,27-19(31)11-12(20(27)32)14(24)16(26)15(25)13(11)23)18(36-9(4)30)17(35-8(3)29)10(37-21)6-34-7(2)28/h10,17-18,21,33H,5-6H2,1-4H3/t10-,17-,18+,21+,22-/m1/s1
InChI key: KREDQWAFOWXLPN-DKMTULMESA-N
SMILES: CCS[C@@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@]1(O)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl
Systematic name  (3):
  • エチル2-(テトラクロロフタルイミジル)-3-O,4-O,6-O-トリアセチル-1-チオ-β-D-グルコピラノシド
  • [(2R,3R,4S,5R,6S)-3,4-ビス(アセチルオキシ)-6-(エチルスルファニル)-5-ヒドロキシ-5-(4,5,6,7-テトラクロロ-1,3-ジオキソ-2,3-ジヒドロ-1H-イソインドール-2-イル)オキサン-2-イル]メチル アセタート
  • [(2R,3R,4S,5R,6S)-3,4-bis(acetyloxy)-6-(ethylsulfanyl)-5-hydroxy-5-(4,5,6,7-tetrachloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)oxan-2-yl]methyl acetate
Other name (1):
  • Ethyl 2-(tetrachlorophthalimidyl)-3-O,4-O,6-O-triacetyl-1-thio-β-D-glucopyranoside
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