Chem
J-GLOBAL ID:200907048832143513   Nikkaji number:J1.704.955K

1-[α-(Potassiooxysulfonyloxyimino)phenethylthio]-1-deoxy-5-O-carba-β-D-glucopyranose 2,3,4,6-tetrabenzoate

1-[α-(ポタシオオキシスルホニルオキシイミノ)フェネチルチオ]-1-デオキシ-5-O-カルバ-β-D-グルコピラノース2,3,4,6-テトラベンゾアート
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: C43H36KNO12S2
Molecular formula furigana: C43-H36-K-N-O12-S2
Molecular weight: 861.970
InChI: InChI=1S/C43H37NO12S2.K/c45-40(30-18-8-2-9-19-30)52-28-34-27-35(57-36(44-56-58(49,50)51)26-29-16-6-1-7-17-29)38(54-42(47)32-22-12-4-13-23-32)39(55-43(48)33-24-14-5-15-25-33)37(34)53-41(46)31-20-10-3-11-21-31;/h1-25,34-35,37-39H,26-28H2,(H,49,50,51);/q;+1/p-1/t34-,35-,37-,38+,39+;/m1./s1
InChI key: ZCSMCRNZHUYYEE-LUMUYMMUSA-M
SMILES: [K]OS(=O)(=O)ON=C(Cc1ccccc1)S[C@@H]1C[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1
Systematic name  (3):
  • 1-[α-(ポタシオオキシスルホニルオキシイミノ)フェネチルチオ]-1-デオキシ-5-O-カルバ-β-D-グルコピラノース2,3,4,6-テトラベンゾアート
  • [(1R,2R,3S,4R,5R)-2,3,4-トリス(ベンゾイルオキシ)-5-{[2-フェニル-1-({[(ポタッシオオキシ)スルホニル]オキシ}イミノ)エチル]スルファニル}シクロヘキシル]メチル ベンゾアート
  • [(1R,2R,3S,4R,5R)-2,3,4-tris(benzoyloxy)-5-{[2-phenyl-1-({[(potassiooxy)sulfonyl]oxy}imino)ethyl]sulfanyl}cyclohexyl]methyl benzoate
Other name (1):
  • 1-[α-(Potassiooxysulfonyloxyimino)phenethylthio]-1-deoxy-5-O-carba-β-D-glucopyranose 2,3,4,6-tetrabenzoate
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