4-Nitrophenyl 2-O-α-D-glucopyranosyl-α-D-glucopyranoside
HIT212720919
sdf文件结构编辑类似物检索
HIT ID: HIT212720919
Cas No: 147103-31-9
分子式: C18H25NO13
分子量: 463.392
常用名: 4-Nitrophenyl 2-O-α-D-glucopyranosyl-α-D-glucopyranoside
常用名: 4-Nitrophenyl 2-O-α-D-glucopyranosyl-α-D-glucopyranoside
氢键受体数 (HBA): 13
氢键供体数 (HBD): 7
LogP: -2.429239
IUPAC: (2R,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC: (2R,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES: OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2Oc2ccc(cc2)[N+]([O-])=O)[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](CO)O[C@@H]2Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O
InChI key: ZGWCYKZKLZNQQX-TXSAWVTMSA-N
共显示2个结果
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SC
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