AG005UK1

7228-78-6 | 5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride

AG005UK1

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CAS Number	7228-78-6
Catalog Number	AG005UK1(AGN-PC-0U0DDR)
Chemical Name	5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride
EC Number	230-631-9
IUPAC Name	(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
InChI	InChI=1S/C23H24O12.ClH/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23;/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27);1H/t17-,19-,20+,21-,23-;/m1./s1
InChI Key	YDIKCZBMBPOGFT-DIONPBRTSA-N
MDL Number	MFCD00185576
Molecular Formula	C23H25ClO12
Molecular Weight	528.8904
SMILES	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC2=C(C3=CC(OC)=C(O)C(OC)=C3)[O+]=C4C=C(O)C=C(O)C4=C2)O1.[Cl-]
UNII	B34F52D7NB
Synonyms	(3'-O-methyl-(3)H)malvidin-3-glucoside, malvidin-3-glucoside, Oenin chloride, 7228-78-6, Enin chloride, Cyclamin chloride, Malvidin-3-O-glucoside chloride, UNII-B34F52D7NB, Enin, B34F52D7NB, Malvidin-3-O-galactoside chloride, Malvidine-3-glucoside, 5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride, EINECS 230-631-9, NSC 70532, Malvidin beta-D-glucoside, CHEMBL602754, Oenin chloride, analytical standard, Oenin chloride, >=90% (HPLC), Malvidin mono-beta-D-glucopyranoside, MFCD00185576, AKOS015951116, 1329-33-5, 3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium chloride, AB1008345, FT-0636396, UNII-F02KPB2508 component YDIKCZBMBPOGFT-DIONPBRTSA-N, UNII-R911H793SU component YDIKCZBMBPOGFT-DIONPBRTSA-N, Cyclamin chloride; Enin chloride; Malvidin-3-O-glucoside chloride, 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenium-3-yl D-glucopyranoside chloride, Flavylium, 3,4',5,7-tetrahydroxy-3',5'-dimethoxy-, chloride, mono-beta-D-glucopyranoside, 1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride, mono-beta-D-glucopyranoside, 3,5,7-Trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium chloride, mono-beta-D-glucopyranoside, 5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)-3-((3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-chromenylium chloride, 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)chromenylium chloride, D-glucopyranoside, 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyranium-3-yl, chloride, Oenin, Primulin, Malvidin-3-glucoside, Malvidin 3-Glucoside, C23H25O12.Cl, C23-H25-O12.Cl, CID11249520,

Complexity	669
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	528.103g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	528.891g/mol
Monoisotopic Mass	528.103g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	180A^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-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number