Chem
J-GLOBAL ID:200907049265044785   Nikkaji number:J924.888I

N,4-O,7-O,8-O,9-O-Pentaacetyl-2-O-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-β-neuraminic acid methylthiomethyl ester

N,4-O,7-O,8-O,9-O-ペンタアセチル-2-O-[2-[2-(2-アジドエトキシ)エトキシ]エチル]-β-ノイラミン酸メチルチオメチル
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: C27H42N2[N-][N+]O15S
Molecular formula furigana: C27-H42-N4-O15-S
Molecular weight: 694.710
InChI: InChI=1S/C27H42N4O15S/c1-16(32)30-23-21(43-18(3)34)13-27(26(37)41-15-47-6,42-12-11-39-10-9-38-8-7-29-31-28)46-25(23)24(45-20(5)36)22(44-19(4)35)14-40-17(2)33/h21-25H,7-15H2,1-6H3,(H,30,32)/t21-,22+,23+,24+,25+,27-/m0/s1
InChI key: KSPKXAAKRHPJQO-NFIQMXJASA-N
SMILES: CSCOC(=O)[C@@]1(C[C@H](OC(=O)C)[C@@H](NC(=O)C)[C@@H](O1)[C@H](OC(=O)C)[C@@H](COC(=O)C)OC(=O)C)OCCOCCOCCN=[N+]=[N-]
Systematic name  (3):
  • N,4-O,7-O,8-O,9-O-ペンタアセチル-2-O-[2-[2-(2-アジドエトキシ)エトキシ]エチル]-β-ノイラミン酸メチルチオメチル
  • (メチルスルファニル)メチル (2S,4S,5R,6R)-4-(アセチルオキシ)-2-{2-[2-(2-アジドエトキシ)エトキシ]エトキシ}-5-アセトアミド-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
  • (methylsulfanyl)methyl (2S,4S,5R,6R)-4-(acetyloxy)-2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}-5-acetamido-6-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]oxane-2-carboxylate
Other name (1):
  • N,4-O,7-O,8-O,9-O-Pentaacetyl-2-O-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-β-neuraminic acid methylthiomethyl ester
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