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Home > Encyclopedia > (3R,5R)-1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid

(3R,5R)-1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid

(3R,5R)-1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid structure

(3R,5R)-1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid 

structure
  • CAS No:

    145163-52-6

  • Formula:

    C14H16O10

  • Chemical Name:

    (3R,5R)-1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid

  • Synonyms:

    4-Galloylquinic acid;4-O-Galloylquinic acid;CHEMBL39744;110170-37-1;BDBM50469566;ZINC100792120;(3R,5R)-1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid;(3R,5R)-1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyl)oxy-cyclohexanecarboxylic acid;(1S,3R,4S,5R)-1,3,5-Trihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]cyclohexanecarboxylic acid

(3R,5R)-1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid Basic Attributes

344.27 g/mol

344.07434670 g/mol

Characteristics

185 Ų

Computed Properties

Molecular Weight:344.27
XLogP3:-1.2
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:344.07434670
Monoisotopic Mass:344.07434670
Topological Polar Surface Area:185
Heavy Atom Count:24
Complexity:470
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of (3R,5R)-1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid

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