Chem
J-GLOBAL ID：200907079728341845   Nikkaji number：J2.116.766E

2-(Dodecylthio)-2-deoxy-4-O,7-O,8-O,9-O-tetraacetyl-5-azido-5-deamino-β-neuraminic acid methyl ester

2-(ドデシルチオ)-2-デオキシ-4-O,7-O,8-O,9-O-テトラアセチル-5-アジド-5-デアミノ-β-ノイラミン酸メチル
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： C30H49N[N-][N+]O11S
Molecular formula furigana： C30-H49-N3-O11-S
Molecular weight： 659.790
InChI： InChI=1S/C30H49N3O11S/c1-7-8-9-10-11-12-13-14-15-16-17-45-30(29(38)39-6)18-24(41-21(3)35)26(32-33-31)28(44-30)27(43-23(5)37)25(42-22(4)36)19-40-20(2)34/h24-28H,7-19H2,1-6H3/t24-,25+,26+,27+,28+,30+/m0/s1
InChI key： ZONQQTYUACHDLQ-HEBNFACKSA-N
SMILES： CCCCCCCCCCCCS[C@]1(C[C@H](OC(=O)C)[C@@H](N=[N+]=[N-])[C@@H](O1)[C@H](OC(=O)C)[C@@H](COC(=O)C)OC(=O)C)C(=O)OC
Systematic name  (3)：
  • 2-(ドデシルチオ)-2-デオキシ-4-O,7-O,8-O,9-O-テトラアセチル-5-アジド-5-デアミノ-β-ノイラミン酸メチル
  • メチル (2R,4S,5R,6R)-4-(アセチルオキシ)-5-アジド-2-(ドデシルスルファニル)-6-[(1S,2R)-1,2,3-トリス(アセチルオキシ)プロピル]オキサン-2-カルボキシラート
  • methyl (2R,4S,5R,6R)-4-(acetyloxy)-5-azido-2-(dodecylsulfanyl)-6-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]oxane-2-carboxylate
Other name (1)：
  • 2-(Dodecylthio)-2-deoxy-4-O,7-O,8-O,9-O-tetraacetyl-5-azido-5-deamino-β-neuraminic acid methyl ester
Thsaurus map：
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