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化工社オープンプロジェクト:[email protected]AIアクセス:llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.7.8
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[2-[[3-[1-[(2-Boronophenyl)methyl]-5-[1-[(2-boronophenyl)methyl]-5-[[6-[[1-[(2-boronophenyl)methyl]-5-[1-[(2-boronophenyl)methyl]-5-[1-[(2-boronophenyl)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-3-yl]pyridin-1-ium-3-carbonyl]amino]-1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxohexan-2-yl]carbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;bis([2-[[3-[1-[(2-boronophenyl)methyl]-5-[1-[(2-boronophenyl)methyl]-5-[3-(2-methylprop-2-enoylamino)propylcarbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid);bis(dibromo(methyl)-lambda3-bromane);ethane

HCID 160052652
ノート反応
基本情報名称と識別子物性関連反応化合物ノート
構造図なし

基本情報

InChIKey
MILOXUXEIMNLHA-UHFFFAOYSA-V
分子式
C179H198B12Br6N20O32+12
平均分子量
3,751 g/mol

名称と識別子

優先名称
[2-[[3-[1-[(2-Boronophenyl)methyl]-5-[1-[(2-boronophenyl)methyl]-5-[[6-[[1-[(2-boronophenyl)methyl]-5-[1-[(2-boronophenyl)methyl]-5-[1-[(2-boronophenyl)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-3-yl]pyridin-1-ium-3-carbonyl]amino]-1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxohexan-2-yl]carbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;bis([2-[[3-[1-[(2-boronophenyl)methyl]-5-[1-[(2-boronophenyl)methyl]-5-[3-(2-methylprop-2-enoylamino)propylcarbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid);bis(dibromo(methyl)-lambda3-bromane);ethane
IUPAC
[2-[[3-[1-[(2-boronophenyl)methyl]-5-[1-[(2-boronophenyl)methyl]-5-[[6-[[1-[(2-boronophenyl)methyl]-5-[1-[(2-boronophenyl)methyl]-5-[1-[(2-boronophenyl)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-3-yl]pyridin-1-ium-3-carbonyl]amino]-1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxohexan-2-yl]carbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;bis([2-[[3-[1-[(2-boronophenyl)methyl]-5-[1-[(2-boronophenyl)methyl]-5-[3-(2-methylprop-2-enoylamino)propylcarbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid);bis(dibromo(methyl)-λ3-bromane);ethane

データベース識別子

PubChem CID
160052652

物性

構造計算による物性

極性表面積
765 Ų
水素結合供与体数
32
水素結合受容体数
32
回転可能結合数
70
重原子数
249
形式電荷
12
複雑度
4,480

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