(1S,3R,4R,5R)-3-hydroxy-1,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid
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![(1S,3R,4R,5R)-3-hydroxy-1,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/873f6fcab2dc4eac92ea41a461c0e273.png "(1S,3R,4R,5R)-3-hydroxy-1,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid")
(1S,3R,4R,5R)-3-hydroxy-1,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid
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CAS No:
110082-89-8
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Formula:
C28H24O18
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Chemical Name:
(1S,3R,4R,5R)-3-hydroxy-1,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid
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Synonyms:
Benzoic acid,3,4,5-trihydroxy-,4-carboxy-6-hydroxy-1,2,4-cyclohexanetriyl ester,[1R-(1a,2b,4a,6a)]; GN-8; Benzoic acid,3,4,5-trihydroxy-,4-carboxy-6-hydroxy-1,2,4-cyclohexanetriyl ester,(1R-(1alpha,2beta,4alpha,6alpha)-); 1,3,4-Tri-O-galloylquinic acid;
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CAS No:
(1S,3R,4R,5R)-3-hydroxy-1,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid Basic Attributes
648.47900
648.09626391 g/mol
DTXSID00149140
Computed Properties
Molecular Weight:648.5
XLogP3:1.1
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:10
Exact Mass:648.09626391
Monoisotopic Mass:648.09626391
Topological Polar Surface Area:319
Heavy Atom Count:46
Complexity:1100
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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