Name: G3-CNP
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214321877
Cas No:118291-90-0
常用名:G3-CNP
别名:G3-CNP, CNPG3, 2-氯-4-硝基苯-麦芽三糖, 2Chloro4nitrophenyl αDmaltotrioside, 2-Chloro-4-nitrophenyl a-D-maltotrioside, 2 Chloro 4 nitrophenyl α D maltotrioside
别名:G3-CNP, CNPG3, 2-氯-4-硝基苯-麦芽三糖, 2Chloro4nitrophenyl αDmaltotrioside, 2-Chloro-4-nitrophenyl a-D-maltotrioside, 2 Chloro 4 nitrophenyl α D maltotrioside
IUPAC:(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-6-(2-chloro-4-nitrophenoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC:(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-6-(2-chloro-4-nitrophenoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI key:KMYYNUOXSFGLNX-XFNLHOCBSA-N

分子式:C24H34ClNO18
分子量:659.98
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](Oc4ccc(cc4Cl)N(=O)=O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
SMILES:OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](Oc4ccc(cc4Cl)N(=O)=O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O

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