AG002UDD

27661-36-5 | Cyanidin-3-galactoside chloride

AG002UDD

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CAS Number	27661-36-5
Catalog Number	AG002UDD(AGN-PC-0R3DH7)
Chemical Name	Cyanidin-3-galactoside chloride
IUPAC Name	(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
InChI	InChI=1S/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H/t16-,17+,18+,19-,21-;/m1./s1
InChI Key	YTMNONATNXDQJF-QSLGVYCOSA-N
MDL Number	MFCD00270387
Molecular Formula	C21H21ClO11
Molecular Weight	484.8378
SMILES	OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OC2=C(C3=CC=C(O)C(O)=C3)[O+]=C4C=C(O)C=C(O)C4=C2)O1.[Cl-]
UNII	FC7L938Y12
Synonyms	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl beta-D-galactopyranoside chloride, Cy3-gal, cyanidin 3-galactoside, Idaein chloride, 27661-36-5, Ideanin, CYANIDIN-3-GALACTOSIDE CHLORIDE, Idein, Idein chloride, UNII-FC7L938Y12, Cyanidin 3-O-galactoside chloride, Ideain, CHEBI:37664, FC7L938Y12, cyanidin 3-O-beta-D-galactoside chloride, cyanidin-3-o-galactoside, 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride, 27214-71-7, Cyanidin-3-O-galactoside chloride, 3-(beta-D-galactopyranosyloxy)-3',4',5,7-tetrahydroxyflavylium chloride, C21H21ClO11, 3-(Galactosyloxy)-3',4',5,7-tetrahydroxyflavylium chloride, Ideain chloride, Cyanidin 3-galactoside chloride, Cyanidin chloride 3-galactoside [MI], Cyanidin 3-O-beta-galactopyranoside chloride, Cyanidin 3-O-beta-D-Galactopyranoside Chloride, SCHEMBL316825, AC1L424Q, BICL4237, CHEMBL591992, Idaein chloride, >=90% (HPLC), Idaein chloride, analytical standard, AKOS025311473, 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-(beta-d-galactopyranosyloxy)-5,7-dihydroxy-, chloride, V0324, W-202159, UNII-R911H793SU component YTMNONATNXDQJF-QSLGVYCOSA-N, (2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride, 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-, chloride (1:1), 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)chromenylium chloride, 3-(Galactosyloxy)-3 inverted exclamation marka,4 inverted exclamation marka,5,7-tetrahydroxyflavylium chloride, Idaein, Chrysontemin, Cyanidin 3-galactoside, CID176457,

Complexity	623
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	484.077g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	8
Isotope Atom Count	0
Molecular Weight	484.838g/mol
Monoisotopic Mass	484.077g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	181A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
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Certificate of Analysis

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