Chem
J-GLOBAL ID:200907025592962180   Nikkaji number:J1.602.798G

2-Azidoethyl 2-O,4-O,6-O-tribenzyl-3-O-[3-O-acetyl-4-O-[[[2-O,4-O,6-O-tribenzyl-3-O-[3-O-acetyl-4-O-(tert-butyldimethylsilyl)-6-O-benzyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-α-D-galactopyranosyl]oxy]phosphonyl]-6-O-benzyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-α-D-galactopyranoside

2-アジドエチル2-O,4-O,6-O-トリベンジル-3-O-[3-O-アセチル-4-O-[[[2-O,4-O,6-O-トリベンジル-3-O-[3-O-アセチル-4-O-(tert-ブチルジメチルシリル)-6-O-ベンジル-2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-α-D-ガラクトピラノシル]オキシ]ホスホニル]-6-O-ベンジル-2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-α-D-ガラクトピラノシド
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: C96H118N3[N-][N+]O26PSi
Molecular formula furigana: C96-H118-N5-O26-P-SI
Molecular weight: 1817.068
InChI: InChI=1S/C96H118N5O26PSi/c1-64(102)99-80-86(117-66(3)104)84(78(62-110-54-70-38-22-12-23-39-70)119-92(80)123-88-82(113-56-72-42-26-14-27-43-72)76(60-108-52-68-34-18-10-19-35-68)121-94(112-51-50-98-101-97)90(88)115-58-74-46-30-16-31-47-74)125-128(106,107)126-95-91(116-59-75-48-32-17-33-49-75)89(83(114-57-73-44-28-15-29-45-73)77(122-95)61-109-53-69-36-20-11-21-37-69)124-93-81(100-65(2)103)87(118-67(4)105)85(127-129(8,9)96(5,6)7)79(120-93)63-111-55-71-40-24-13-25-41-71/h10-49,76-95H,50-63H2,1-9H3,(H,99,102)(H,100,103)(H,106,107)/t76-,77-,78-,79-,80-,81-,82+,83+,84-,85-,86-,87-,88+,89+,90-,91-,92+,93+,94+,95-/m1/s1
InChI key: UJJMWWUPFBOIRX-ZCGQYVSUSA-N
SMILES: CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](OCc3ccccc3)[C@@H](COCc3ccccc3)O[C@H](OP(=O)(O)O[C@@H]3[C@@H](COCc4ccccc4)O[C@@H](O[C@H]4[C@@H](OCc5ccccc5)[C@@H](COCc5ccccc5)O[C@H](OCCN=[N+]=[N-])[C@@H]4OCc4ccccc4)[C@H](NC(=O)C)[C@H]3OC(=O)C)[C@@H]2OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)C
Systematic name  (3):
  • 2-アジドエチル2-O,4-O,6-O-トリベンジル-3-O-[3-O-アセチル-4-O-[[[2-O,4-O,6-O-トリベンジル-3-O-[3-O-アセチル-4-O-(tert-ブチルジメチルシリル)-6-O-ベンジル-2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-α-D-ガラクトピラノシル]オキシ]ホスホニル]-6-O-ベンジル-2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-α-D-ガラクトピラノシド
  • {[(2R,3R,4S,5S,6R)-4-{[(2S,3R,4R,5S,6R)-4-(アセチルオキシ)-6-[(ベンジルオキシ)メチル]-5-[(tert-ブチルジメチルシリル)オキシ]-3-アセトアミドオキサン-2-イル]オキシ}-3,5-ビス(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]オキサン-2-イル]オキシ}({[(2R,3S,4R,5R,6S)-4-(アセチルオキシ)-6-{[(2S,3R,4S,5S,6R)-2-(2-アジドエトキシ)-3,5-ビス(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]オキサン-4-イル]オキシ}-2-[(ベンジルオキシ)メチル]-5-アセトアミドオキサン-3-イル]オキシ})ホスフィン酸
  • {[(2R,3R,4S,5S,6R)-4-{[(2S,3R,4R,5S,6R)-4-(acetyloxy)-6-[(benzyloxy)methyl]-5-[(tert-butyldimethylsilyl)oxy]-3-acetamidooxan-2-yl]oxy}-3,5-bis(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}({[(2R,3S,4R,5R,6S)-4-(acetyloxy)-6-{[(2S,3R,4S,5S,6R)-2-(2-azidoethoxy)-3,5-bis(benzyloxy)-6-[(benzyloxy)methyl]oxan-4-yl]oxy}-2-[(benzyloxy)methyl]-5-acetamidooxan-3-yl]oxy})phosphinic acid
Other name (1):
  • 2-Azidoethyl 2-O,4-O,6-O-tribenzyl-3-O-[3-O-acetyl-4-O-[[[2-O,4-O,6-O-tribenzyl-3-O-[3-O-acetyl-4-O-(tert-butyldimethylsilyl)-6-O-benzyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-α-D-galactopyranosyl]oxy]phosphonyl]-6-O-benzyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-α-D-galactopyranoside
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