Chem
J-GLOBAL ID：200907002128502265   Nikkaji number：J1.295.756D

2-O-Benzyl-N,4-O-diacetyl-8-O,9-O-diisopropyl-α-neuraminic acid methyl ester

2-O-ベンジル-N,4-O-ジアセチル-8-O,9-O-ジイソプロピル-α-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： C27H41NO10
Molecular formula furigana： C27-H41-N-O10
Molecular weight： 539.622
InChI： InChI=1S/C27H41NO10/c1-16(2)34-15-22(36-17(3)4)24(31)25-23(28-18(5)29)21(37-19(6)30)13-27(38-25,26(32)33-7)35-14-20-11-9-8-10-12-20/h8-12,16-17,21-25,31H,13-15H2,1-7H3,(H,28,29)/t21-,22+,23+,24+,25+,27+/m0/s1
InChI key： KMBOEPGPJAJVIN-XDRRYPFFSA-N
SMILES： COC(=O)[C@]1(C[C@H](OC(=O)C)[C@@H](NC(=O)C)[C@@H](O1)[C@H](O)[C@@H](COC(C)C)OC(C)C)OCc1ccccc1
Systematic name  (3)：
  • 2-O-ベンジル-N,4-O-ジアセチル-8-O,9-O-ジイソプロピル-α-ノイラミン酸メチル
  • メチル (2R,4S,5R,6R)-4-(アセチルオキシ)-2-(ベンジルオキシ)-5-アセトアミド-6-[(1S,2R)-1-ヒドロキシ-2,3-ビス(プロパン-2-イルオキシ)プロピル]オキサン-2-カルボキシラート
  • methyl (2R,4S,5R,6R)-4-(acetyloxy)-2-(benzyloxy)-5-acetamido-6-[(1S,2R)-1-hydroxy-2,3-bis(propan-2-yloxy)propyl]oxane-2-carboxylate
Other name (1)：
  • 2-O-Benzyl-N,4-O-diacetyl-8-O,9-O-diisopropyl-α-neuraminic acid methyl ester
Thsaurus map：
Thesaurus Map

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