Chem
J-GLOBAL ID:200907024785172520   Nikkaji number:J2.691.640B

N,7-O,8-O,9-O-Tetraacetyl-2-O-methyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-yl)-4-deoxy-α-neuraminic acid methyl ester

N,7-O,8-O,9-O-テトラアセチル-2-O-メチル-4-(1,4-ジオキサ-8-アザスピロ[4.5]デカン-8-イル)-4-デオキシ-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: C26H40N2O13
Molecular formula furigana: C26-H40-N2-O13
Molecular weight: 588.607
InChI: InChI=1S/C26H40N2O13/c1-15(29)27-21-19(28-9-7-25(8-10-28)37-11-12-38-25)13-26(35-6,24(33)34-5)41-23(21)22(40-18(4)32)20(39-17(3)31)14-36-16(2)30/h19-23H,7-14H2,1-6H3,(H,27,29)/t19-,20+,21+,22+,23+,26+/m0/s1
InChI key: MZORQAKPMRMQDH-SFOUIMQPSA-N
SMILES: COC(=O)[C@]1(C[C@@H]([C@@H](NC(=O)C)[C@@H](O1)[C@H](OC(=O)C)[C@@H](COC(=O)C)OC(=O)C)N1CCC2(CC1)OCCO2)OC
Systematic name  (3):
  • N,7-O,8-O,9-O-テトラアセチル-2-O-メチル-4-(1,4-ジオキサ-8-アザスピロ[4.5]デカン-8-イル)-4-デオキシ-α-ノイラミン酸メチル
  • メチル (2R,4S,5R,6R)-4-{1,4-ジオキサ-8-アザスピロ[4.5]デカン-8-イル}-5-アセトアミド-2-メトキシ-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-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-5-acetamido-2-methoxy-6-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]oxane-2-carboxylate
Other name (1):
  • N,7-O,8-O,9-O-Tetraacetyl-2-O-methyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-yl)-4-deoxy-α-neuraminic acid methyl ester
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