Chem
J-GLOBAL ID:200907074288600914
Nikkaji number:J1.658.674I
2,2′-[1,3-Phenylenebis(oxyhexamethylene)]bis[N,N′-bis[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]malonamide]
2,2′-[1,3-フェニレンビス(オキシヘキサメチレン)]ビス[N,N′-ビス[2-ヒドロキシ-1,1-ビス(ヒドロキシメチル)エチル]マロンアミド]
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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:
C40 H70 N4 O18
Molecular formula furigana:
C40-H70-N4-O18
Molecular weight:
895.010
InChI:
InChI=1S/C40H70N4O18/c45-17-37(18-46,19-47)41-33(57)31(34(58)42-38(20-48,21-49)22-50)12-5-1-3-7-14-61-29-10-9-11-30(16-29)62-15-8-4-2-6-13-32(35(59)43-39(23-51,24-52)25-53)36(60)44-40(26-54,27-55)28-56/h9-11,16,31-32,45-56H,1-8,12-15,17-28H2,(H,41,57)(H,42,58)(H,43,59)(H,44,60)
InChI key:
TUUFHLHBQKGBJW-UHFFFAOYSA-N
SMILES:
OCC(CO)(CO)NC(=O)C(CCCCCCOc1cccc(OCCCCCCC(C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)c1)C(=O)NC(CO)(CO)CO
Systematic name (4):
2,2′-[1,3-フェニレンビス[オキシ(ヘキサン-6,1-ジイル)]]ビス[N,N′-ビス[1,1-ビス(ヒドロキシメチル)-2-ヒドロキシエチル]マロンアミド]
2,2′-[1,3-フェニレンビス(オキシヘキサメチレン)]ビス[N,N′-ビス[2-ヒドロキシ-1,1-ビス(ヒドロキシメチル)エチル]マロンアミド]
2-[6-(3-{[7,7-ビス({[1,3-ジヒドロキシ-2-(ヒドロキシメチル)プロパン-2-イル]カルバモイル})ヘプチル]オキシ}フェノキシ)ヘキシル]-N,N'-ビス[1,3-ジヒドロキシ-2-(ヒドロキシメチル)プロパン-2-イル]プロパンジアミド
2-[6-(3-{[7,7-bis({[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl})heptyl]oxy}phenoxy)hexyl]-N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanediamide
Other name (2):
2,2′-[1,3-Phenylenebis[oxy(hexane-6,1-diyl)]]bis[N,N′-bis[1,1-bis(hydroxymethyl)-2-hydroxyethyl]malonamide]
2,2′-[1,3-Phenylenebis(oxyhexamethylene)]bis[N,N′-bis[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]malonamide]
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