Chem
J-GLOBAL ID:200907001081608560   Nikkaji number:J2.055.116J

tert-Butyldimethylsilyl 3-O,6-O-dibenzyl-4-O-[3-O,6-O-dibenzyl-4-O-[2-O,4-O-dibenzyl-3-O-(2-O-benzoyl-3-O,4-O,6-O-tribenzyl-α-D-mannopyranosyl)-β-D-mannopyranosyl]-2-(phenylsulfonylamino)-2-deoxy-β-D-glucopyranosyl]-2-(phenylsulfonylamino)-2-deoxy-α-D-glucopyranoside

tert-ブチルジメチルシリル3-O,6-O-ジベンジル-4-O-[3-O,6-O-ジベンジル-4-O-[2-O,4-O-ジベンジル-3-O-(2-O-ベンゾイル-3-O,4-O,6-O-トリベンジル-α-D-マンノピラノシル)-β-D-マンノピラノシル]-2-(フェニルスルホニルアミノ)-2-デオキシ-β-D-グルコピラノシル]-2-(フェニルスルホニルアミノ)-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: C112H124N2O24S2Si
Molecular formula furigana: C112-H124-N2-O24-S2-SI
Molecular weight: 1974.420
InChI: InChI=1S/C112H124N2O24S2Si/c1-112(2,3)141(4,5)138-109-96(114-140(119,120)90-64-40-17-41-65-90)102(127-73-85-54-30-12-31-55-85)99(94(132-109)78-123-69-81-46-22-8-23-47-81)135-108-95(113-139(117,118)89-62-38-16-39-63-89)101(126-72-84-52-28-11-29-53-84)100(93(131-108)77-122-68-80-44-20-7-21-45-80)136-110-105(129-75-87-58-34-14-35-59-87)104(97(91(66-115)130-110)124-70-82-48-24-9-25-49-82)137-111-106(134-107(116)88-60-36-15-37-61-88)103(128-74-86-56-32-13-33-57-86)98(125-71-83-50-26-10-27-51-83)92(133-111)76-121-67-79-42-18-6-19-43-79/h6-65,91-106,108-111,113-115H,66-78H2,1-5H3/t91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103+,104+,105+,106+,108+,109-,110+,111-/m1/s1
InChI key: CKXIQCRWEWNONG-TZSRYYAOSA-N
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](OCc4ccccc4)[C@H](O[C@H]4O[C@H](COCc5ccccc5)[C@@H](OCc5ccccc5)[C@H](OCc5ccccc5)[C@@H]4OC(=O)c4ccccc4)[C@@H]3OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2NS(=O)(=O)c2ccccc2)[C@H](OCc2ccccc2)[C@H]1NS(=O)(=O)c1ccccc1
Systematic name  (3):
  • tert-ブチルジメチルシリル3-O,6-O-ジベンジル-4-O-[3-O,6-O-ジベンジル-4-O-[2-O,4-O-ジベンジル-3-O-(2-O-ベンゾイル-3-O,4-O,6-O-トリベンジル-α-D-マンノピラノシル)-β-D-マンノピラノシル]-2-(フェニルスルホニルアミノ)-2-デオキシ-β-D-グルコピラノシル]-2-(フェニルスルホニルアミノ)-2-デオキシ-α-D-グルコピラノシド
  • (2R,3S,4S,5R,6R)-2-{[(2S,3S,4S,5R,6R)-2-{[(2R,3S,4R,5R,6S)-5-ベンゼンスルホンアミド-6-{[(2R,3S,4R,5R,6R)-5-ベンゼンスルホンアミド-4-(ベンジルオキシ)-2-[(ベンジルオキシ)メチル]-6-[(tert-ブチルジメチルシリル)オキシ]オキサン-3-イル]オキシ}-4-(ベンジルオキシ)-2-[(ベンジルオキシ)メチル]オキサン-3-イル]オキシ}-3,5-ビス(ベンジルオキシ)-6-(ヒドロキシメチル)オキサン-4-イル]オキシ}-4,5-ビス(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]オキサン-3-イル ベンゾアート
  • (2R,3S,4S,5R,6R)-2-{[(2S,3S,4S,5R,6R)-2-{[(2R,3S,4R,5R,6S)-5-benzenesulfonamido-6-{[(2R,3S,4R,5R,6R)-5-benzenesulfonamido-4-(benzyloxy)-2-[(benzyloxy)methyl]-6-[(tert-butyldimethylsilyl)oxy]oxan-3-yl]oxy}-4-(benzyloxy)-2-[(benzyloxy)methyl]oxan-3-yl]oxy}-3,5-bis(benzyloxy)-6-(hydroxymethyl)oxan-4-yl]oxy}-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]oxan-3-yl benzoate
Other name (1):
  • tert-Butyldimethylsilyl 3-O,6-O-dibenzyl-4-O-[3-O,6-O-dibenzyl-4-O-[2-O,4-O-dibenzyl-3-O-(2-O-benzoyl-3-O,4-O,6-O-tribenzyl-α-D-mannopyranosyl)-β-D-mannopyranosyl]-2-(phenylsulfonylamino)-2-deoxy-β-D-glucopyranosyl]-2-(phenylsulfonylamino)-2-deoxy-α-D-glucopyranoside
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