Chem
J-GLOBAL ID：200907022287460884   Nikkaji number：J1.148.063B

4-O-[2-(Sulfoamino)-6-O-sulfo-2-deoxy-α-D-glucopyranosyl]-α-L-idopyranuronic acid

4-O-[2-(スルホアミノ)-6-O-スルホ-2-デオキシ-α-D-グルコピラノシル]-α-L-イドピラヌロン酸
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： C12H21NO17S2
Molecular formula furigana： C12-H21-N-O17-S2
Molecular weight： 515.409
InChI： InChI=1S/C12H21NO17S2/c14-4-2(1-27-32(24,25)26)28-12(3(5(4)15)13-31(21,22)23)30-8-6(16)7(17)11(20)29-9(8)10(18)19/h2-9,11-17,20H,1H2,(H,18,19)(H,21,22,23)(H,24,25,26)/t2-,3-,4-,5-,6-,7-,8+,9-,11-,12-/m1/s1
InChI key： JMVQVXRMLCEYJF-MNGRWRAWSA-N
SMILES： O[C@@H]1O[C@H]([C@@H](O[C@H]2O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]2NS(=O)(=O)O)[C@H](O)[C@H]1O)C(=O)O
Systematic name  (3)：
  • 4-O-[2-(スルホアミノ)-6-O-スルホ-2-デオキシ-α-D-グルコピラノシル]-α-L-イドピラヌロン酸
  • (2R,3S,4R,5R,6R)-3-{[(2R,3R,4R,5S,6R)-4,5-ジヒドロキシ-3-(スルホアミノ)-6-[(スルホオキシ)メチル]オキサン-2-イル]オキシ}-4,5,6-トリヒドロキシオキサン-2-カルボン酸
  • (2R,3S,4R,5R,6R)-3-{[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-[(sulfooxy)methyl]oxan-2-yl]oxy}-4,5,6-trihydroxyoxane-2-carboxylic acid
Other name (1)：
  • 4-O-[2-(Sulfoamino)-6-O-sulfo-2-deoxy-α-D-glucopyranosyl]-α-L-idopyranuronic acid
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