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Product No: BP7578

(2S,3R)-2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol, 98%

Name: (2S,3R)-2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

18829-70-4

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About this item

IUPAC name	(2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
canonical smiles	C1C(C(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
inchi key	PFTAWBLQPZVEMU-HIFRSBDPSA-N
molecular formula	C15H14O6
synonyms	(-)-Catechin 18829-70-4 Catechin l-form (-)-Catechol (2S,3R)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol
Compound Description	-catechin is the -enantiomer of catechin. It has a role as a metabolite. It is an enantiomer of a -catechin. -Catechin is a natural product found in Cinnamomum kotoense, Begonia nantoensis, and other organisms with data available.

Computed Properties

Molecular Weight:	290.27 g/mol
XLogP3:	0.4
Hydrogen Bond Donor Count:	5
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	1
Exact Mass:	290.07903816 g/mol
Monoisotopic Mass:	290.07903816 g/mol
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

Related Compounds

Quercetin

Diosmetin

Taxifolin

Cianidanol

Dihydromyricetin

Fisetin

Kaempferol

Myricetin

Luteolin

Isorhamnetin

Morin

Epicatechin

Hesperetin

Naringenin

Epigallocatechin

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

Lot Number

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	(2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
canonical smiles	C1C(C(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
inchi key	PFTAWBLQPZVEMU-HIFRSBDPSA-N
molecular formula	C15H14O6
synonyms	(-)-Catechin 18829-70-4 Catechin l-form (-)-Catechol (2S,3R)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol
Compound Description	-catechin is the -enantiomer of catechin. It has a role as a metabolite. It is an enantiomer of a -catechin. -Catechin is a natural product found in Cinnamomum kotoense, Begonia nantoensis, and other organisms with data available.

Computed Properties

Molecular Weight:	290.27 g/mol
XLogP3:	0.4
Hydrogen Bond Donor Count:	5
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	1
Exact Mass:	290.07903816 g/mol
Monoisotopic Mass:	290.07903816 g/mol
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

Related Compounds

Quercetin

Diosmetin

Taxifolin

Cianidanol

Dihydromyricetin

Fisetin

Kaempferol

Myricetin

Luteolin

Isorhamnetin

Morin

Epicatechin

Hesperetin

Naringenin

Epigallocatechin

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: BP7578

(2S,3R)-2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol, 98%

Product No: BP7578

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: BP7578

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?