Chem
J-GLOBAL ID：200907037813763550   Nikkaji number：J2.075.513J

1-O-(2-Azidoethyl)-4-O-[6-O-(N-acetyl-α-neuraminosyl)-β-D-galactopyranosyl]-β-D-glucopyranose

1-O-(2-アジドエチル)-4-O-[6-O-(N-アセチル-α-ノイラミノシル)-β-D-ガラクトピラノシル]-β-D-グルコピラノース
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： C25H42N2[N-][N+]O19
Molecular formula furigana： C25-H42-N4-O19
Molecular weight： 702.620
InChI： InChI=1S/C25H42N4O19/c1-8(32)28-13-9(33)4-25(24(41)42,48-21(13)14(35)10(34)5-30)44-7-12-15(36)16(37)18(39)23(46-12)47-20-11(6-31)45-22(19(40)17(20)38)43-3-2-27-29-26/h9-23,30-31,33-40H,2-7H2,1H3,(H,28,32)(H,41,42)/t9-,10+,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+,21+,22+,23-,25+/m0/s1
InChI key： JXYCIVQUWDTCRC-FRFUNZCYSA-N
SMILES： CC(=O)N[C@@H]1[C@@H](O)C[C@@](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OCCN=[N+]=[N-])O[C@@H]3CO)[C@H](O)[C@@H](O)[C@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C(=O)O
Systematic name  (3)：
  • 1-O-(2-アジドエチル)-4-O-[6-O-(N-アセチル-α-ノイラミノシル)-β-D-ガラクトピラノシル]-β-D-グルコピラノース
  • (2R,4S,5R,6R)-2-{[(2R,3R,4S,5R,6S)-6-{[(2R,3S,4R,5R,6R)-6-(2-アジドエトキシ)-4,5-ジヒドロキシ-2-(ヒドロキシメチル)オキサン-3-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-イル]メトキシ}-5-アセトアミド-4-ヒドロキシ-6-[(1R,2R)-1,2,3-トリヒドロキシプロピル]オキサン-2-カルボン酸
  • (2R,4S,5R,6R)-2-{[(2R,3R,4S,5R,6S)-6-{[(2R,3S,4R,5R,6R)-6-(2-azidoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Other name (1)：
  • 1-O-(2-Azidoethyl)-4-O-[6-O-(N-acetyl-α-neuraminosyl)-β-D-galactopyranosyl]-β-D-glucopyranose
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