Chem
J-GLOBAL ID:200907048899900122   Nikkaji number:J481.774E

3-[6-(Diethylamino)-9H-purin-9-yl]-1-O,5-O,6-O-tris(methylsulfonyl)-3-deoxy-L-muco-inositol

3-[6-(ジエチルアミノ)-9H-プリン-9-イル]-1-O,5-O,6-O-トリス(メチルスルホニル)-3-デオキシ-L-muco-イノシトール
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: C18H29N5O11S3
Molecular formula furigana: C18-H29-N5-O11-S3
Molecular weight: 587.630
InChI: InChI=1S/C18H29N5O11S3/c1-6-22(7-2)17-10-18(20-8-19-17)23(9-21-10)11-12(24)14(32-35(3,26)27)16(34-37(5,30)31)15(13(11)25)33-36(4,28)29/h8-9,11-16,24-25H,6-7H2,1-5H3/t11-,12-,13+,14-,15+,16+
InChI key: FUVITOXXQBMVRX-ZUBBGQSFSA-N
SMILES: CCN(CC)c1ncnc2n(cnc12)[C@@H]1[C@@H](O)[C@@H](OS(=O)(=O)C)[C@H](OS(=O)(=O)C)[C@@H](OS(=O)(=O)C)[C@H]1O
Systematic name  (3):
  • 3-[6-(ジエチルアミノ)-9H-プリン-9-イル]-1-O,5-O,6-O-トリス(メチルスルホニル)-3-デオキシ-L-muco-イノシトール
  • (1R,2R,3s,4S,5S,6r)-3-[6-(ジエチルアミノ)-9H-プリン-9-イル]-2,4-ジヒドロキシ-5,6-ビス(メタンスルホニルオキシ)シクロヘキシル メタンスルホナート
  • (1R,2R,3s,4S,5S,6r)-3-[6-(diethylamino)-9H-purin-9-yl]-2,4-dihydroxy-5,6-bis(methanesulfonyloxy)cyclohexyl methanesulfonate
Other name (1):
  • 3-[6-(Diethylamino)-9H-purin-9-yl]-1-O,5-O,6-O-tris(methylsulfonyl)-3-deoxy-L-muco-inositol
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