(3R,4R,5R)-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexene-1-carboxylic acid
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(3R,4R,5R)-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexene-1-carboxylic acid
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CAS No:
95719-51-0
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Formula:
C14H14O9
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Chemical Name:
(3R,4R,5R)-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexene-1-carboxylic acid
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Synonyms:
5-Galloylshikimic acid;3-O-Galloylshikimic acid;UNII-9XEH2JM56J;9XEH2JM56J;CHEMBL289369;(3R,4R,5R)-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexene-1-carboxylic acid;95719-51-0;BDBM50469569;Q27273345;(3R,4R,5R)-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-cyclohexene-1-carboxylic acid;(3R,4R,5R)-3,4-Dihydroxy-5-(3,4,5-trihydroxyphenylcarbonyloxy)cyclohex-1-enecarboxylic acid;Benzoic acid, 3,4,5-trihydroxy-, (1R,5R,6R)-3-carboxy-5,6-dihydroxy-3-cyclohexen-1-yl ester
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CAS No:
(3R,4R,5R)-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexene-1-carboxylic acid Basic Attributes
326.25 g/mol
326.06378202 g/mol
9XEH2JM56J
Computed Properties
Molecular Weight:326.25
XLogP3:-0.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:326.06378202
Monoisotopic Mass:326.06378202
Topological Polar Surface Area:165
Heavy Atom Count:23
Complexity:491
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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