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Home Other Building Blocks (+)-Catechin (hydrate)

(+)-Catechin (hydrate)

CAS No.:
88191-48-4
Catalog Number:
AG004C9X
Molecular Formula:
C15H16O7
Molecular Weight:
308.2833
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Product Description
Catalog Number:
AG004C9X
Chemical Name:
(+)-Catechin (hydrate)
CAS Number:
88191-48-4
Molecular Formula:
C15H16O7
Molecular Weight:
308.2833
MDL Number:
MFCD00149354
IUPAC Name:
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;hydrate
InChI:
InChI=1S/C15H14O6.H2O/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-5,13,15-20H,6H2;1H2/t13-,15+;/m0./s1
InChI Key:
OFUMQWOJBVNKLR-NQQJLSKUSA-N
SMILES:
Oc1cc2OC(c3ccc(c(c3)O)O)C(Cc2c(c1)O)O.O
Properties
Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
308.09g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
308.286g/mol
Monoisotopic Mass:
308.09g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine. Bioorganic & medicinal chemistry 20121115
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties