Chem
J-GLOBAL ID：201607004572102166   Nikkaji number：J3.496.542K

(8-(4-(3-(1,3,5,7-Tetramethyl-2,6-diethyl-4,4-difluoro-3a-aza-4a-azonia-4-bora(IV)-s-indacene-8-yl)propyl)-1H-1,2,3-triazole-1-yl)-3,6-dioxaoctane-1-yl)2-(acetylamino)-2-deoxy-α-D-glucopyranoside

(8-(4-(3-(1,3,5,7-テトラメチル-2,6-ジエチル-4,4-ジフルオロ-3a-アザ-4a-アゾニア-4-ボラ(IV)-s-インダセン-8-イル)プロピル)-1H-1,2,3-トリアゾール-1-イル)-3,6-ジオキサオクタン-1-イル)2-(アセチルアミノ)-2-デオキシ-α-D-グルコピラノシド
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： C36H55BF2N5[N+]O8
Molecular formula furigana： C36-H55-B-F2-N6-O8
Molecular weight： 748.680
InChI： InChI=1S/C36H55BF2N6O8/c1-8-27-21(3)32-29(33-22(4)28(9-2)24(6)45(33)37(38,39)44(32)23(27)5)12-10-11-26-19-43(42-41-26)13-14-50-15-16-51-17-18-52-36-31(40-25(7)47)35(49)34(48)30(20-46)53-36/h19,30-31,34-36,46,48-49H,8-18,20H2,1-7H3,(H,40,47)/q+1/t30-,31-,34-,35-,36+/m1/s1
InChI key： NNYYUUKLGMTDPG-XINJQZJUSA-N
SMILES： CCC1=C(C)C2=C(CCCc3cn(CCOCCOCCO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(=O)C)nn3)c3c(C)c(CC)c(C)n3[B](F)(F)[N+]2=C1C
Systematic name  (3)：
  • (8-(4-(3-(1,3,5,7-テトラメチル-2,6-ジエチル-4,4-ジフルオロ-3a-アザ-4a-アゾニア-4-ボラ(IV)-s-インダセン-8-イル)プロピル)-1H-1,2,3-トリアゾール-1-イル)-3,6-ジオキサオクタン-1-イル)2-(アセチルアミノ)-2-デオキシ-α-D-グルコピラノシド
  • 8-[3-(1-{2-[2-(2-{[(2S,3R,4R,5S,6R)-3-アセトアミド-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}エトキシ)エトキシ]エチル}-1H-1,2,3-トリアゾール-4-イル)プロピル]-5,11-ジエチル-2,2-ジフルオロ-4,6,10,12-テトラメチル-1λ5,3-ジアザ-2λ4-ボラトリシクロ[7.3.0.03,7]ドデカ-1(12),4,6,8,10-ペンタエン-1-イリウム
  • 8-[3-(1-{2-[2-(2-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethoxy)ethoxy]ethyl}-1H-1,2,3-triazol-4-yl)propyl]-5,11-diethyl-2,2-difluoro-4,6,10,12-tetramethyl-1λ5,3-diaza-2λ4-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium
Other name (1)：
  • (8-(4-(3-(1,3,5,7-Tetramethyl-2,6-diethyl-4,4-difluoro-3a-aza-4a-azonia-4-bora(IV)-s-indacene-8-yl)propyl)-1H-1,2,3-triazole-1-yl)-3,6-dioxaoctane-1-yl)2-(acetylamino)-2-deoxy-α-D-glucopyranoside
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