cis-Chlorogenic acid
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cis-Chlorogenic acid
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CAS No:
15016-60-1
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Formula:
C16H18O9
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Chemical Name:
cis-Chlorogenic acid
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Synonyms:
Cyclohexanecarboxylic acid,3-[[(2Z)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-,(1S,3R,4R,5R)-;Chlorogenic acid,(Z)-;Cyclohexanecarboxylic acid,3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-,[1S-[1α,3β(Z),4α,5α]]-;Cyclohexanecarboxylic acid,3-[[(2Z)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-,(1S,3R,4R,5R)-;(1S,3R,4R,5R)-3-[[(2Z)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid;cis-Chlorogenic acid;5-O-(Z)-Caffeoylquinic acid;3-cis-O-Caffeoylquinic acid;82690-55-9;2087491-40-3
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CAS No:
Description
5-O-cis-caffeoylquinic acid is a cinnamate ester obtained by formal condensation of the carboxy group of cis-caffeic acid with the 5-hydroxy group of (+)-quinic acid. It has a role as a metabolite. It is a cinnamate ester and a cyclitol carboxylic acid. It derives from a cis-caffeic acid and a (+)-quinic acid.
Computed Properties
Molecular Weight:354.31
XLogP3:-0.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:354.09508215
Monoisotopic Mass:354.09508215
Topological Polar Surface Area:165
Heavy Atom Count:25
Complexity:534
Defined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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