Chemical Compound

(2R,4S,5S,6R)-4-acetyl-6-[(1S)-1-[(2R,8R,9S,10S)-10-acetyl-8-[(3S,4R)-4-acetyl-3,4,5-trihydroxy-2,6-dioxoheptan-3-yl]-9-acetamido-10-hydroxy-5-oxo-1,4,7-trioxaspiro[5.5]undecan-2-yl]-1-hydroxy-2-oxopropyl]-2-{[(2R,3S,4S,5R,6S)-3,5-bis(benzoyloxy)-2-[(benzoyloxy)methyl]-6-[(diethoxyphosphanyl)oxy]oxan-4-yl]oxy}-5-acetamido-4-hydroxyoxane-2-carboxylic acid

(2R,4S,5S,6R)-4-acetyl-6-[(1S)-1-[(2R,8R,9S,10S)-10-acetyl-8-[(3S,4R)-4-acetyl-3,4,5-trihydroxy-2,6-dioxoheptan-3-yl]-9-acetamido-10-hydroxy-5-oxo-1,4,7-trioxaspiro[5.5]undecan-2-yl]-1-hydroxy-2-oxopropyl]-2-{[(2R,3S,4S,5R,6S)-3,5-bis(benzoyloxy)-2-[(benzoyloxy)methyl]-6-[(diethoxyphosphanyl)oxy]oxan-4-yl]oxy}-5-acetamido-4-hydroxyoxane-2-carboxylic acid 结构式
Primary record

(2R,4S,5S,6R)-4-acetyl-6-[(1S)-1-[(2R,8R,9S,10S)-10-acetyl-8-[(3S,4R)-4-acetyl-3,4,5-trihydroxy-2,6-dioxoheptan-3-yl]-9-acetamido-10-hydroxy-5-oxo-1,4,7-trioxaspiro[5.5]undecan-2-yl]-1-hydroxy-2-oxopropyl]-2-{[(2R,3S,4S,5R,6S)-3,5-bis(benzoyloxy)-2-[(benzoyloxy)methyl]-6-[(diethoxyphosphanyl)oxy]oxan-4-yl]oxy}-5-acetamido-4-hydroxyoxane-2-carboxylic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101487611
SMILES
CCOP(OCC)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O[C@@]4(C[C@]([C@H]([C@@H](O4)[C@]([C@H]5COC(=O)C6(O5)C[C@]([C@H]([C@@H](O6)[C@@](C(=O)C)([C@](C(C(=O)C)O)(C(=O)C)O)O)NC(=O)C)(C(=O)C)O)(C(=O)C)O)NC(=O)C)(C(=O)C)O)C(=O)O)OC(=O)C7=CC=CC=C7
Canonical SMILES
CCOP(OCC)O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](O[C@]2(C(=O)O)C[C@@](O)(C(C)=O)[C@@H](NC(C)=O)[C@H]([C@@](O)(C(C)=O)[C@H]3COC(=O)C4(C[C@@](O)(C(C)=O)[C@@H](NC(C)=O)[C@H]([C@@](O)(C(C)=O)[C@@](O)(C(C)=O)C(O)C(C)=O)O4)O3)O2)[C@H]1OC(=O)c1ccccc1

名称与同义词

  • J2.756.078D
  • (2R,4S,5S,6R)-4-acetyl-6-[(1S)-1-[(2R,8R,9S,10S)-10-acetyl-8-[(3S,4R)-4-acetyl-3,4,5-trihydroxy-2,6-dioxoheptan-3-yl]-9-acetamido-10-hydroxy-5-oxo-1,4,7-trioxaspiro[5.5]undecan-2-yl]-1-hydroxy-2-oxopropyl]-2-{[(2R,3S,4S,5R,6S)-3,5-bis(benzoyloxy)-2-[(benzoyloxy)methyl]-6-[(diethoxyphosphanyl)oxy]oxan-4-yl]oxy}-5-acetamido-4-hydroxyoxane-2-carboxylic acid
  • N,4,7-Triacetyl-2-O-[1-O-(diethoxyphosphino)-2-O,4-O,6-O-tribenzoyl-3-deoxy-beta-D-galactopyranose-3-yl]-8-O,9-[(N,4,7,8,9-pentaacetyl-2-decarboxy-2-deoxy-alpha-neuraminic acid-2,2-diyl)(carbonyloxy)]-9-deoxy-alpha-neuraminic acid