AG0032CD

3371-27-5 | (2S,3R)-2-(3,4,5-Trihydroxyphenyl)-chroman-3,5,7-triol

AG0032CD

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CAS Number	3371-27-5
Catalog Number	AG0032CD(AGN-PC-0R99QM)
Chemical Name	(2S,3R)-2-(3,4,5-Trihydroxyphenyl)-chroman-3,5,7-triol
IUPAC Name	(2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
InChI	InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m1/s1
InChI Key	XMOCLSLCDHWDHP-DOMZBBRYSA-N
MDL Number	MFCD01632616
Molecular Formula	C15H14O7
Molecular Weight	306.2675
SMILES	OC=1C=C(C=C(C1O)O)[C@@H]1OC=2C=C(C=C(C2C[C@H]1O)O)O
Synonyms	(-)-Gallocatechin, 3371-27-5, (2S,3R)-2-(3,4,5-Trihydroxyphenyl)chroman-3,5,7-triol, (2S,3R)-gallocatechin, ent-gallocatechin, CHEBI:71225, MFCD01632616, (2S,3R)-flavan-3,3',4',5,5',7-hexol, (2S,3R)-flavan-3,5,7,3',4',5'-hexol, (2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol, (2S,3R)-(-)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol, GallocatechinGC, l-Gallocatechin, C15H14O7, (-)-Gallocatechol, Gallocatechin (GC), (2S,3R)-2-(3,4,5-Trihydroxyphenyl)-chroman-3,5,7-triol, CHEMBL264167, SCHEMBL1742127, CTK8C1347, DTXSID10432358, (2S,3R)-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol, ZINC3870337, (?)-GC, 3961AB, ANW-66312, BDBM50373220, AKOS015902103, (-)-Gallocatechin, analytical standard, RTR-014071, (-)-Gallocatechin, >=98% (HPLC), AJ-46335, AK-64755, SC-95647, AX8215155, FT-0082014, FT-0626602, N1872, ST24034088, A12003, 371G275, J-500978, Q-100410, I14-13383, (2R,3S)-2-(3,4,5-trihydroxy-phenyl)chroman-3,5,7-triol, Gallocatechin, Epigallocatechin, Gallocatechin(GC), -GALLOCATECHIN, CID9882981, (-)-Gallocatechin, 98%, from Green Tea - 10MG 10mg, 970-74-1, Gc,

Complexity	380
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	306.074g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	306.27g/mol
Monoisotopic Mass	306.074g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	131A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338-P280a-P304+P340-P405-P501a
UN Code

Certificate of Analysis

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