Chem
J-GLOBAL ID：200907087225746735   Nikkaji number：J994.198C

Kotalanol

コタラノール
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： C12H24O11[O-]S[S+]
Molecular formula furigana： C12-H24-O12-S2
Molecular weight： 424.430
InChI： InChI=1S/C12H24O12S2/c13-1-5(15)10(19)11(20)12(24-26(21,22)23)7(17)4-25-3-6(16)9(18)8(25)2-14/h5-20H,1-4H2/t5?,6-,7-,8-,9+,10-,11-,12-,25?/m1/s1
InChI key： OMKXVFDVAGCPBS-JVOXOHCUSA-N
SMILES： OCC(O)[C@@H](O)[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO
Systematic name  (3)：
  • [(1S,2S)-1-[(1R,2R)-1,2,3,4-テトラヒドロキシブチル]-2-ヒドロキシ-3-[(2R)-2α-(ヒドロキシメチル)-3β,4α-ジヒドロキシ-1-チオニアシクロペンタン-1-イル]プロピルスルファート]アニオン
  • (2R,3S,4S)-3,4-ジヒドロキシ-2-(ヒドロキシメチル)-1-[(2S,3S,4R,5R)-2,4,5,6,7-ペンタヒドロキシ-3-(スルホナトオキシ)ヘプチル]チオラン-1-イウム
  • (2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)-1-[(2S,3S,4R,5R)-2,4,5,6,7-pentahydroxy-3-(sulfonatooxy)heptyl]thiolan-1-ium
Other name (3)：
  • コタラノール
  • Kotalanol
  • [(1S,2S)-1-[(1R,2R)-1,2,3,4-Tetrahydroxybutyl]-2-hydroxy-3-[(2R)-2α-(hydroxymethyl)-3β,4α-dihydroxy-1-thioniacyclopentane-1-yl]propylsulfate]anion
CAS registry number： 214491-07-3
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM