Chem
J-GLOBAL ID：200907090639178730   Nikkaji number：J342.408A

Octosyl acid A

オクトシル酸A
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： C13H14N2O10
Molecular formula furigana： C13-H14-N2-O10
Molecular weight： 358.259
InChI： InChI=1S/C13H14N2O10/c16-4-1-5(12(21)22)24-8-6(17)10(25-7(4)8)15-2-3(11(19)20)9(18)14-13(15)23/h2,4-8,10,16-17H,1H2,(H,19,20)(H,21,22)(H,14,18,23)/t4-,5+,6-,7-,8+,10-/m1/s1
InChI key： VKBROKVQWXRRIF-VSKWAHJVSA-N
SMILES： O[C@@H]1[C@@H]2O[C@@H](C[C@@H](O)[C@H]2O[C@H]1n1cc(C(=O)O)c(=O)[nH]c1=O)C(=O)O
Systematic name  (3)：
  • 3,7-アンヒドロ-1-[5-カルボキシ-3,4-ジヒドロ-2,4-ジオキソピリミジン-1(2H)-イル]-1,6-ジデオキシ-D-glycero-β-D-allo-オクトフラヌロン酸
  • 1-[(2R,3R,3aS,5S,7R,7aR)-5-カルボキシ-3,7-ジヒドロキシ-ヘキサヒドロ-2H-フロ[3,2-b]ピラン-2-イル]-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-5-カルボン酸
  • 1-[(2R,3R,3aS,5S,7R,7aR)-5-carboxy-3,7-dihydroxy-hexahydro-2H-furo[3,2-b]pyran-2-yl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
Other name (3)：
  • オクトシル酸A
  • Octosyl acid A
  • 3,7-Anhydro-1-[5-carboxy-3,4-dihydro-2,4-dioxopyrimidin-1(2H)-yl]-1,6-dideoxy-D-glycero-β-D-allo-octofuranuronic acid
CAS registry number： 55728-21-7
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