Chem
J-GLOBAL ID:200907011685854840   Nikkaji number:J1.579.598K

2α,6α-Bis(2,6-diamino-2,6-dideoxy-β-D-glucopyranosyloxy)-3β,5β-diaminocyclohexane-1β-ol

2α,6α-ビス(2,6-ジアミノ-2,6-ジデオキシ-β-D-グルコピラノシルオキシ)-3β,5β-ジアミノシクロヘキサン-1β-オール
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: C18H38N6O9
Molecular formula furigana: C18-H38-N6-O9
Molecular weight: 482.535
InChI: InChI=1S/C18H38N6O9/c19-2-6-10(25)12(27)8(23)17(30-6)32-15-4(21)1-5(22)16(14(15)29)33-18-9(24)13(28)11(26)7(3-20)31-18/h4-18,25-29H,1-3,19-24H2/t4-,5+,6-,7-,8-,9-,10-,11-,12-,13-,14?,15+,16-,17+,18+/m1/s1
InChI key: HSSPVXDMYNXNQO-ZZKLMHKJSA-N
SMILES: NC[C@H]1O[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)C2O)[C@H](N)[C@@H](O)[C@@H]1O
Systematic name  (3):
  • 2α,6α-ビス(2,6-ジアミノ-2,6-ジデオキシ-β-D-グルコピラノシルオキシ)-3β,5β-ジアミノシクロヘキサン-1β-オール
  • (2R,3S,4R,5R,6S)-5-アミノ-2-(アミノメチル)-6-{[(1S,3R,4S,6R)-4,6-ジアミノ-3-{[(2S,3R,4R,5S,6R)-3-アミノ-6-(アミノメチル)-4,5-ジヒドロキシオキサン-2-イル]オキシ}-2-ヒドロキシシクロヘキシル]オキシ}オキサン-3,4-ジオール
  • (2R,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-6-{[(1S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}oxane-3,4-diol
Other name (1):
  • 2α,6α-Bis(2,6-diamino-2,6-dideoxy-β-D-glucopyranosyloxy)-3β,5β-diaminocyclohexane-1β-ol
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