(+) Catechin hydrate

CAT: 0063-89984855-1gSize: 1 gDry Ice: NoHazardous: No

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CAT#:0063-89984855-1gSize:1 g

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CAS Number

225937-10-0

Molecular Formula

C15H14O6·xH2O

Molecular Weight

290.27

Formulation

C15H14O6·xH2O

Chemical Information

(+)-Catechin Hydrate

(+)-catechin monohydrate is the monohydrate of (+)-catechin. It has a role as a geroprotector. It contains a (+)-catechin.

CAS Number	225937-10-0
PubChem CID	107957
IUPAC Name	(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;hydrate
Molecular Formula	C15H16O7
Molecular Weight	308.28
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Heavy Atom Count	22
Formal Charge	0
Complexity	364

SMILES

C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O.O

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

InChIKey

OFUMQWOJBVNKLR-NQQJLSKUSA-N

Chemical Structure

2D Structure

CAS: 225937-10-0

CID: 107957

Formula: C15H16O7

MW: 308.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	308.28
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	308.08960285
Monoisotopic Mass	308.08960285
Topological Polar Surface Area	111 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	364
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes