Chem
J-GLOBAL ID：200907032554309070
Nikkaji number：J2.398.910G
8,8,8-Tris[1-[2-(α-D-mannopyranosyloxy)ethyl]-1H-1,2,3-triazole-4-ylmethoxymethyl]-3,6-dioxaoctane-1-yl azide
8,8,8-トリス[1-[2-(α-D-マンノピラノシルオキシ)エチル]-1H-1,2,3-トリアゾール-4-イルメトキシメチル]-3,6-ジオキサオクタン-1-イルアザイド
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
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
Molecular formula： C42H70N10[N-][N+]O23
Molecular formula furigana： C42-H70-N12-O23
Molecular weight： 1111.083
InChI：
InChI=1S/C42H70N12O23/c43-48-44-1-5-67-9-10-68-20-42(21-69-17-24-11-52(49-45-24)2-6-72-39-36(64)33(61)30(58)27(14-55)75-39,22-70-18-25-12-53(50-46-25)3-7-73-40-37(65)34(62)31(59)28(15-56)76-40)23-71-19-26-13-54(51-47-26)4-8-74-41-38(66)35(63)32(60)29(16-57)77-41/h11-13,27-41,55-66H,1-10,14-23H2/t27-,28-,29-,30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+/m1/s1
InChI key：
YTKHHEXDLSHWPP-DQMNXGJBSA-N
SMILES：
OC[C@H]1O[C@H](OCCn2cc(COCC(COCCOCCN=[N+]=[N-])(COCc3cn(CCO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)nn3)COCc3cn(CCO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)nn3)nn2)[C@@H](O)[C@@H](O)[C@@H]1O
Systematic name (3)：
- 8,8,8-トリス[1-[2-(α-D-マンノピラノシルオキシ)エチル]-1H-1,2,3-トリアゾール-4-イルメトキシメチル]-3,6-ジオキサオクタン-1-イルアザイド
- (2S,3S,4S,5S,6R)-2-{2-[4-({3-[2-(2-アジドエトキシ)エトキシ]-2,2-ビス({[1-(2-{[(2S,3S,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}エチル)-1H-1,2,3-トリアゾール-4-イル]メトキシ}メチル)プロポキシ}メチル)-1H-1,2,3-トリアゾール-1-イル]エトキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
- (2S,3S,4S,5S,6R)-2-{2-[4-({3-[2-(2-azidoethoxy)ethoxy]-2,2-bis({[1-(2-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-1H-1,2,3-triazol-4-yl]methoxy}methyl)propoxy}methyl)-1H-1,2,3-triazol-1-yl]ethoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
- 8,8,8-Tris[1-[2-(α-D-mannopyranosyloxy)ethyl]-1H-1,2,3-triazole-4-ylmethoxymethyl]-3,6-dioxaoctane-1-yl azide
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