Chem
J-GLOBAL ID：200907052512036546   Nikkaji number：J1.975.350F

1-O,N-(2-Methylpropane-1-yl-1-ylidene)-3-O-β-D-glucopyranuronosyl-α-D-galactosamine

1-O,N-(2-メチルプロパン-1-イル-1-イリデン)-3-O-β-D-グルコピラヌロノシル-α-D-ガラクトサミン
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： C16H25NO11
Molecular formula furigana： C16-H25-N-O11
Molecular weight： 407.372
InChI： InChI=1S/C16H25NO11/c1-4(2)13-17-6-11(7(19)5(3-18)25-15(6)28-13)26-16-10(22)8(20)9(21)12(27-16)14(23)24/h4-12,15-16,18-22H,3H2,1-2H3,(H,23,24)/t5-,6-,7+,8+,9+,10-,11-,12+,15-,16-/m1/s1
InChI key： YQJIGHOQZPYWHD-SGOKXTFBSA-N
SMILES： CC(C)C1=N[C@H]2[C@@H](O1)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O
Systematic name  (4)：
  • 1-O-[(3aR)-2-イソプロピル-6α-ヒドロキシ-5α-(ヒドロキシメチル)-3aα,6,7,7aα-テトラヒドロ-5H-ピラノ[3,2-d]オキサゾール-7α-イル]-β-D-グルコピラヌロン酸
  • 1-O,N-(2-メチルプロパン-1-イル-1-イリデン)-3-O-β-D-グルコピラヌロノシル-α-D-ガラクトサミン
  • (2S,3S,4S,5R,6R)-6-{[(3aR,5R,6R,7R,7aR)-6-ヒドロキシ-5-(ヒドロキシメチル)-2-(プロパン-2-イル)-3aH,5H,6H,7H,7aH-ピラノ[3,2-d][1,3]オキサゾール-7-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-カルボン酸
  • (2S,3S,4S,5R,6R)-6-{[(3aR,5R,6R,7R,7aR)-6-hydroxy-5-(hydroxymethyl)-2-(propan-2-yl)-3aH,5H,6H,7H,7aH-pyrano[3,2-d][1,3]oxazol-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Other name (2)：
  • 1-O-[(3aR)-2-Isopropyl-6α-hydroxy-5α-(hydroxymethyl)-3aα,6,7,7aα-tetrahydro-5H-pyrano[3,2-d]oxazole-7α-yl]-β-D-glucopyranuronic acid
  • 1-O,N-(2-Methylpropane-1-yl-1-ylidene)-3-O-β-D-glucopyranuronosyl-α-D-galactosamine
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