Name: 4-Galloylquinic acid
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213884767
Cas No:110170-37-1
常用名:4-Galloylquinic acid
IUPAC:(1S,3R,4S,5R)-1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid
IUPAC:(1S,3R,4S,5R)-1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid
InChI key:OGYBSNRRBNHPNK-FTBFGRRBSA-N

分子式:C14H16O10
分子量:344.272
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)C(O)=O |wU:3.3,6.6,8.9,wD:1.0,3.22,(,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;1.68,-3.44,;4,-5.39,;4,-6.93,;5.33,-7.7,;2.67,-7.7,;2.67,-9.24,;4,-10.01,;5.33,-9.24,;4,-11.55,;5.33,-12.32,;5.33,-13.86,;6.67,-14.63,;4,-14.63,;4,-16.17,;2.67,-13.86,;1.33,-14.63,;2.67,-12.32,;3.66,-3.44,;3.13,-1.99,;5.17,-3.71,)|
SMILES:O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)C(O)=O |wU:3.3,6.6,8.9,wD:1.0,3.22,(,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;1.68,-3.44,;4,-5.39,;4,-6.93,;5.33,-7.7,;2.67,-7.7,;2.67,-9.24,;4,-10.01,;5.33,-9.24,;4,-11.55,;5.33,-12.32,;5.33,-13.86,;6.67,-14.63,;4,-14.63,;4,-16.17,;2.67,-13.86,;1.33,-14.63,;2.67,-12.32,;3.66,-3.44,;3.13,-1.99,;5.17,-3.71,)|

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