(3R,5R)-1,3,5-trihydroxy-4-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid
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![(3R,5R)-1,3,5-trihydroxy-4-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/390ab158bd9c45c091266858a1cfc3f7.png "(3R,5R)-1,3,5-trihydroxy-4-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid")
(3R,5R)-1,3,5-trihydroxy-4-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid
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CAS No:
1108200-72-1
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Formula:
C16H18O8
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Chemical Name:
(3R,5R)-1,3,5-trihydroxy-4-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid
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Synonyms:
4-p-Coumaroylquinic acid;Q27105532
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CAS No:
Description
4-p-coumaroylquinic acid is a cinnamate ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the 4-hydroxy group of (-)-quinic acid. It has a role as a plant metabolite. It is a cinnamate ester and a cyclitol carboxylic acid. It derives from a (-)-quinic acid and a 4-coumaric acid.
(3R,5R)-1,3,5-trihydroxy-4-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid Basic Attributes
338.31 g/mol
338.10016753 g/mol
K4772MBI5O
Computed Properties
Molecular Weight:338.31
XLogP3:-0.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:338.10016753
Monoisotopic Mass:338.10016753
Topological Polar Surface Area:145
Heavy Atom Count:24
Complexity:482
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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