Name: Idrabiotaparinux sodium
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219159173
Cas No:405159-59-3
常用名:Idrabiotaparinux sodium
别名:K2T918I23K
IUPAC:nonasodium (2R,3S,4S,5R,6R)-3-{[(2R,3R,4S,5R,6R)-5-{[(2R,3R,4S,5S,6S)-5-{[(2R,3R,4R,5S,6R)-3-(6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}hexanamido)-4,5-dimethoxy-6-[(sulfonatooxy)methyl]oxan-2-yl]oxy}-6-carboxylato-3,4-dimethoxyoxan-2-yl]oxy}-3,4-bis(sulfonatooxy)-6-[(sulfonatooxy)methyl]oxan-2-yl]oxy}-4,5-dimethoxy-6-{[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(sulfonatooxy)-2-[(sulfonatooxy)methyl]oxan-3-yl]oxy}oxane-2-carboxylate
IUPAC:nonasodium (2R,3S,4S,5R,6R)-3-{[(2R,3R,4S,5R,6R)-5-{[(2R,3R,4S,5S,6S)-5-{[(2R,3R,4R,5S,6R)-3-(6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}hexanamido)-4,5-dimethoxy-6-[(sulfonatooxy)methyl]oxan-2-yl]oxy}-6-carboxylato-3,4-dimethoxyoxan-2-yl]oxy}-3,4-bis(sulfonatooxy)-6-[(sulfonatooxy)methyl]oxan-2-yl]oxy}-4,5-dimethoxy-6-{[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(sulfonatooxy)-2-[(sulfonatooxy)methyl]oxan-3-yl]oxy}oxane-2-carboxylate
InChI key:LJNNVCTYYRPPRZ-GDNXFURLSA-E

分子式:C53H79N4Na9O51S8
分子量:2051.58
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@]12CS[C@@H](CCCCC(=O)NCCCCCC(=O)N[C@H]3[C@@H](O[C@H]4[C@H](OC)[C@@H](OC)[C@H](O[C@@H]5[C@@H](COS([O-])(=O)=O)O[C@H](O[C@H]6[C@H](OC)[C@@H](OC)[C@H](O[C@@H]7[C@@H](COS([O-])(=O)=O)O[C@H](OC)[C@H](OS([O-])(=O)=O)[C@H]7OS([O-])(=O)=O)O[C@H]6C([O-])=O)[C@H](OS([O-])(=O)=O)[C@H]5OS([O-])(=O)=O)O[C@@H]4C([O-])=O)O[C@H](COS([O-])(=O)=O)[C@@H](OC)[C@@H]3OC)[C@@]1([H])NC(=O)N2
SMILES:[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@]12CS[C@@H](CCCCC(=O)NCCCCCC(=O)N[C@H]3[C@@H](O[C@H]4[C@H](OC)[C@@H](OC)[C@H](O[C@@H]5[C@@H](COS([O-])(=O)=O)O[C@H](O[C@H]6[C@H](OC)[C@@H](OC)[C@H](O[C@@H]7[C@@H](COS([O-])(=O)=O)O[C@H](OC)[C@H](OS([O-])(=O)=O)[C@H]7OS([O-])(=O)=O)O[C@H]6C([O-])=O)[C@H](OS([O-])(=O)=O)[C@H]5OS([O-])(=O)=O)O[C@@H]4C([O-])=O)O[C@H](COS([O-])(=O)=O)[C@@H](OC)[C@@H]3OC)[C@@]1([H])NC(=O)N2

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