Chem
J-GLOBAL ID：200907012695779885   Nikkaji number：J1.005.795G

1-O-(4-Nitrophenyl)-β-lactose 2,2′,3,6,6′-pentaacetate

1-O-(4-ニトロフェニル)-β-ラクトース2,2′,3,6,6′-ペンタアセタート
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： C28H35[N+]O17[O-]
Molecular formula furigana： C28-H35-N-O18
Molecular weight： 673.577
InChI： InChI=1S/C28H35NO18/c1-12(30)39-10-19-21(35)22(36)24(41-14(3)32)27(45-19)47-23-20(11-40-13(2)31)46-28(26(43-16(5)34)25(23)42-15(4)33)44-18-8-6-17(7-9-18)29(37)38/h6-9,19-28,35-36H,10-11H2,1-5H3/t19-,20-,21+,22+,23-,24-,25+,26-,27+,28-/m1/s1
InChI key： MPKYSDKPYHAMBF-AAUHLUGXSA-N
SMILES： CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](COC(=O)C)O[C@@H](Oc3ccc(cc3)[N+](=O)[O-])[C@H](OC(=O)C)[C@H]2OC(=O)C)[C@H](OC(=O)C)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • 1-O-(4-ニトロフェニル)-β-ラクトース2,2′,3,6,6′-ペンタアセタート
  • [(2R,3R,4S,5R,6S)-5-(アセチルオキシ)-6-{[(2R,3R,4S,5R,6S)-4,5-ビス(アセチルオキシ)-2-[(アセチルオキシ)メチル]-6-(4-ニトロフェノキシ)オキサン-3-イル]オキシ}-3,4-ジヒドロキシオキサン-2-イル]メチル アセタート
  • [(2R,3R,4S,5R,6S)-5-(acetyloxy)-6-{[(2R,3R,4S,5R,6S)-4,5-bis(acetyloxy)-2-[(acetyloxy)methyl]-6-(4-nitrophenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxan-2-yl]methyl acetate
Other name (1)：
  • 1-O-(4-Nitrophenyl)-β-lactose 2,2′,3,6,6′-pentaacetate
Thsaurus map：
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