Chem
J-GLOBAL ID：200907073366018198   Nikkaji number：J1.348.293D

2α-[[2-(Sulfonato)ethyl]carbamoyl]-4α-[[2-(acetylamino)-4-O-(sulfonato)-2-deoxy-β-D-glucopyranosyl]oxy]-5β-(hydroxymethyl)pyrrolidinium

2α-[[2-(スルホナト)エチル]カルバモイル]-4α-[[2-(アセチルアミノ)-4-O-(スルホナト)-2-デオキシ-β-D-グルコピラノシル]オキシ]-5β-(ヒドロキシメチル)ピロリジニウム
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： C16H28N2[N+]O12[O-]2S2
Molecular formula furigana： C16-H28-N3-O14-S2
Molecular weight： 550.530
InChI： InChI=1S/C16H29N3O14S2/c1-7(22)18-12-13(23)14(33-35(28,29)30)11(6-21)32-16(12)31-10-4-8(19-9(10)5-20)15(24)17-2-3-34(25,26)27/h8-14,16,19-21,23H,2-6H2,1H3,(H,17,24)(H,18,22)(H,25,26,27)(H,28,29,30)/p-1/t8-,9+,10-,11+,12+,13+,14+,16+/m0/s1
InChI key： RPNZWZDLNYCCIG-HMMVDTEZSA-M
SMILES： CC(=O)N[C@@H]1[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@@H](CO)O[C@H]1O[C@H]1C[C@H]([NH2+][C@@H]1CO)C(=O)NCCS(=O)(=O)[O-]
Systematic name  (3)：
  • 2α-[[2-(スルホナト)エチル]カルバモイル]-4α-[[2-(アセチルアミノ)-4-O-(スルホナト)-2-デオキシ-β-D-グルコピラノシル]オキシ]-5β-(ヒドロキシメチル)ピロリジニウム
  • (2R,3S,5S)-3-{[(2R,3R,4R,5S,6R)-3-アセトアミド-4-ヒドロキシ-6-(ヒドロキシメチル)-5-(スルホナトオキシ)オキサン-2-イル]オキシ}-2-(ヒドロキシメチル)-5-[(2-スルホナトエチル)カルバモイル]ピロリジン-1-イウム
  • (2R,3S,5S)-3-{[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-(sulfonatooxy)oxan-2-yl]oxy}-2-(hydroxymethyl)-5-[(2-sulfonatoethyl)carbamoyl]pyrrolidin-1-ium
Other name (1)：
  • 2α-[[2-(Sulfonato)ethyl]carbamoyl]-4α-[[2-(acetylamino)-4-O-(sulfonato)-2-deoxy-β-D-glucopyranosyl]oxy]-5β-(hydroxymethyl)pyrrolidinium
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