AG004C9X

88191-48-4 | (+)-Catechin hydrate

AG004C9X

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CAS Number	88191-48-4
Catalog Number	AG004C9X(AGN-PC-0VJQYP)
Chemical Name	(+)-Catechin hydrate
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
MDL Number	MFCD00149354
Molecular Formula	C15H16O7
Molecular Weight	308.2833
SMILES	O[C@@H]1[C@@H](C2=CC=C(O)C(O)=C2)OC3=C(C(O)=CC(O)=C3)C1.[H]O[H]
Synonyms	(+)-Catechin Hydrate, 225937-10-0, Catechin hydrate, (2R,3S)-2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol hydrate, (+)-Catechin hydrate(1:x), (+)-catechin monohydrate, (+)-Cyanidol-3, CHEBI:58994, MFCD00149354, (2R-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol monohydrate, 88191-48-4, D-Catechin hydrate, MLS001056745, (2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol--water (1/1), (2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol, trans-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol, SMR000326724, (+/-)-Catechin hydrate, catechin-hydrate, MFCD00150865, AK114671, Cianidanol (JAN/INN), SCHEMBL133974, ( inverted exclamation markA)-Catechin hydrate, AC1Q59D1, CHEMBL1256783, KS-00000YHF, HMS2233I24, HMS3649E10, AC1L3322, DS-2787, 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol monohydrate, (2R-trans)-, 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, monohydrate, (2R-trans)-, AN-24768, trans-3,3',4',5,7-Pentahydroxyflavane, AB0109372, AX8043059, FT-0644060, ST24034009, D00200, S00276, (+)-Catechin hydrate, >=98% (HPLC), powder, 295C854, W-104471, (+/-)-Catechin hydrate, purum, >=96.0% (HPLC), I14-18347, I14-18593, SR-01000075742-11, SR-01000075742-15, (+)-Catechin hydrate, >=96.0% (sum of enantiomers, HPLC), (2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol hydrate, (+/-)-Catechin hydrate, primary pharmaceutical reference standard, (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol hydrate, (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol hydrate, (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triolhydrate, trans-3,3 inverted exclamation marka,4 inverted exclamation marka,5,7-Pentahydroxyflavane, 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, monohydrate, (2R,3S)-, Cianidanol, -Catechinhydrate, DL-Catechin, dl-Catechin Hydrate, CATECHIN, (+/-)-Catechin, CHEBI:23053, C15H14O6.H2O, AR-1I1862, C15-H14-O6.H2-O, CID107957, ACN-035234, CS-O-30563, 7295-85-4, SR-01000075742, 94111-92-9,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number