Chem
J-GLOBAL ID:200907017624527305   Nikkaji number:J884.488G

α-KDO-MU

(2S,4R,5R,6R)-6-[(1R)-1,2-ジヒドロキシエチル]-4,5-ジヒドロキシ-2-[(4-メチル-2-オキソ-2H-クロメン-7-イル)オキシ]オキサン-2-カルボン酸
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: C18H20O10
Molecular formula furigana: C18-H20-O10
Molecular weight: 396.348
InChI: InChI=1S/C18H20O10/c1-8-4-14(22)26-13-5-9(2-3-10(8)13)27-18(17(24)25)6-11(20)15(23)16(28-18)12(21)7-19/h2-5,11-12,15-16,19-21,23H,6-7H2,1H3,(H,24,25)/t11-,12-,15-,16-,18-/m1/s1
InChI key: WPBLUZKMNJDEDX-HHAFOAMYSA-N
SMILES: Cc1cc(=O)oc2cc(O[C@@]3(C[C@@H](O)[C@@H](O)[C@H](O3)[C@H](O)CO)C(=O)O)ccc12
Systematic name  (3):
  • テトラヒドロ-4β,5β-ジヒドロキシ-6β-[(R)-1,2-ジヒドロキシエチル]-2-[(4-メチル-2-オキソ-2H-1-ベンゾピラン-7-イル)オキシ]-2H-ピラン-2β-カルボン酸
  • (2S,4R,5R,6R)-6-[(1R)-1,2-ジヒドロキシエチル]-4,5-ジヒドロキシ-2-[(4-メチル-2-オキソ-2H-クロメン-7-イル)オキシ]オキサン-2-カルボン酸
  • (2S,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]oxane-2-carboxylic acid
Other name (2):
  • α-KDO-MU
  • Tetrahydro-4β,5β-dihydroxy-6β-[(R)-1,2-dihydroxyethyl]-2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-2H-pyran-2β-carboxylic acid
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