Name: 3,5-Di-O-galloylquinic acid
Rating: 5 (10 reviews)

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HIT ID:HIT212523625
Cas No:86588-90-1
常用名:3,5-Di-O-galloylquinic acid
IUPAC:(1S,3R,4S,5R)-1,4-dihydroxy-3,5-bis(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid
IUPAC:(1S,3R,4S,5R)-1,4-dihydroxy-3,5-bis(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid
InChI key:DYIWTUWURQKJDN-YQMRLJPGSA-N

分子式:C21H20O14
分子量:496.377
氢键供体数 (HBD):9
氢键受体数 (HBA):12
LogP:0.474
SMILES:O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)C(O)=O)OC(=O)c1cc(O)c(O)c(O)c1 |wU:4.21,2.24,wD:1.0,7.8,4.4,(9.33,2.34,;9.34,3.88,;10.67,4.65,;10.67,6.19,;9.34,6.96,;8.55,8.3,;8.01,6.19,;8.01,4.65,;6.67,3.88,;5.33,4.64,;5.32,6.18,;4,3.86,;2.66,4.62,;1.34,3.86,;0,4.63,;1.33,2.31,;,1.54,;2.67,1.55,;2.66,.01,;4.01,2.31,;10.09,8.3,;9.31,9.63,;11.63,8.31,;12,3.88,;13.34,4.64,;13.35,6.18,;14.67,3.86,;16.01,4.62,;17.34,3.85,;18.67,4.62,;17.34,2.31,;18.67,1.54,;16.01,1.54,;16.01,,;14.66,2.31,)|
SMILES:O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)C(O)=O)OC(=O)c1cc(O)c(O)c(O)c1 |wU:4.21,2.24,wD:1.0,7.8,4.4,(9.33,2.34,;9.34,3.88,;10.67,4.65,;10.67,6.19,;9.34,6.96,;8.55,8.3,;8.01,6.19,;8.01,4.65,;6.67,3.88,;5.33,4.64,;5.32,6.18,;4,3.86,;2.66,4.62,;1.34,3.86,;0,4.63,;1.33,2.31,;,1.54,;2.67,1.55,;2.66,.01,;4.01,2.31,;10.09,8.3,;9.31,9.63,;11.63,8.31,;12,3.88,;13.34,4.64,;13.35,6.18,;14.67,3.86,;16.01,4.62,;17.34,3.85,;18.67,4.62,;17.34,2.31,;18.67,1.54,;16.01,1.54,;16.01,,;14.66,2.31,)|

3,5-Di-O-galloylquinic acid 是一种有用的有机化合物，可用于生命科学领域的相关研究。其产品编号为 T124062，CAS号为 86588-90-1。

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