Chem
J-GLOBAL ID：201507000999922544   Nikkaji number：J3.403.965H

1-Deoxy-1-(2-acetylamino-6-chloro-9H-purine-9-yl)-2-O,3-O,4-O-triacetyl-β-D-glucopyranuronic acid

1-デオキシ-1-(2-アセチルアミノ-6-クロロ-9H-プリン-9-イル)-2-O,3-O,4-O-トリアセチル-β-D-グルコピラヌロン酸
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： C19H20ClN5O10
Molecular formula furigana： C19-H20-CL-N5-O10
Molecular weight： 513.840
InChI： InChI=1S/C19H20ClN5O10/c1-6(26)22-19-23-15(20)10-16(24-19)25(5-21-10)17-13(34-9(4)29)11(32-7(2)27)12(33-8(3)28)14(35-17)18(30)31/h5,11-14,17H,1-4H3,(H,30,31)(H,22,23,24,26)/t11-,12-,13+,14-,17+/m0/s1
InChI key： LTXOGFJVXRRVQM-JEJJNBGPSA-N
SMILES： CC(=O)Nc1nc(Cl)c2ncn([C@@H]3O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)C(=O)O)c2n1
Systematic name  (3)：
  • 1-デオキシ-1-(2-アセチルアミノ-6-クロロ-9H-プリン-9-イル)-2-O,3-O,4-O-トリアセチル-β-D-グルコピラヌロン酸
  • (2S,3S,4S,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-(6-クロロ-2-アセトアミド-9H-プリン-9-イル)オキサン-2-カルボン酸
  • (2S,3S,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-(6-chloro-2-acetamido-9H-purin-9-yl)oxane-2-carboxylic acid
Other name (1)：
  • 1-Deoxy-1-(2-acetylamino-6-chloro-9H-purine-9-yl)-2-O,3-O,4-O-triacetyl-β-D-glucopyranuronic acid
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM