Chem
J-GLOBAL ID:200907011837521523   Nikkaji number:J1.218.390I

5-[(1S,2S,3R)-1-(Trichloroacetylamino)-2,3,4-triacetoxybutyl]-2-furancarboxylic acid methyl ester

5-[(1S,2S,3R)-1-(トリクロロアセチルアミノ)-2,3,4-トリアセトキシブチル]-2-フランカルボン酸メチル
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: C18H20Cl3NO10
Molecular formula furigana: C18-H20-CL3-N-O10
Molecular weight: 516.710
InChI: InChI=1S/C18H20Cl3NO10/c1-8(23)29-7-13(30-9(2)24)15(31-10(3)25)14(22-17(27)18(19,20)21)11-5-6-12(32-11)16(26)28-4/h5-6,13-15H,7H2,1-4H3,(H,22,27)/t13-,14-,15-/m1/s1
InChI key: BEUATOWIYXETJQ-RBSFLKMASA-N
SMILES: COC(=O)c1ccc(o1)[C@@H](NC(=O)C(Cl)(Cl)Cl)[C@H](OC(=O)C)[C@@H](COC(=O)C)OC(=O)C
Systematic name  (3):
  • 5-[(1S,2S,3R)-1-(トリクロロアセチルアミノ)-2,3,4-トリアセトキシブチル]-2-フランカルボン酸メチル
  • メチル 5-[(1S,2S,3R)-2,3,4-トリス(アセチルオキシ)-1-(2,2,2-トリクロロアセトアミド)ブチル]フラン-2-カルボキシラート
  • methyl 5-[(1S,2S,3R)-2,3,4-tris(acetyloxy)-1-(2,2,2-trichloroacetamido)butyl]furan-2-carboxylate
Other name (1):
  • 5-[(1S,2S,3R)-1-(Trichloroacetylamino)-2,3,4-triacetoxybutyl]-2-furancarboxylic acid methyl ester
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