(-) -Catechin Hydrate

CAT: 0127-OR1007776Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

18829-70-4

MDL Number

MFCD00135997

Purity

98%

Smiles

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

Chemical Information

(-)-Catechol

(-)-catechin is the ()-enantiomer of catechin. It has a role as a metabolite. It is an enantiomer of a (+)-catechin.

CAS Number	18829-70-4
PubChem CID	73160
IUPAC Name	(2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Molecular Formula	C15H14O6
Molecular Weight	290.27
XLogP	0.4
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	21
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

InChI

InChI=1S/C15H14O6/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/t13-,15+/m1/s1

InChIKey

PFTAWBLQPZVEMU-HIFRSBDPSA-N

Chemical Structure

2D Structure

CAS: 18829-70-4

CID: 73160

Formula: C15H14O6

MW: 290.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	290.27
XLogP3	0.4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	290.07903816
Monoisotopic Mass	290.07903816
Topological Polar Surface Area	110 Å²
Heavy Atom Count	21
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	1
Compound Is Canonicalized	Yes

Catalog	Name
BISN0111-01	(+) -Catechin
BUP16785-01	(±) -Catechin
BUP12618-01	(-) -Catechin
BUP07425-01	(-) -Catechin gallate
BUP24177-01	Catechin 7-O-β-D-glucopyranoside
OR1078361-01	Ceftibuten Hydrate
BUP21344-01	Oxypeucedanin hydrate
OR1023857-01	Ko143 Hydrate
OR1077625	Rutin Hydrate
OR1014570-01	Palatinose Hydrate