AG00I9UD

552-66-9 | 3-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

AG00I9UD

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CAS Number	552-66-9
Catalog Number	AG00I9UD(AGN-PC-0SIX4P)
Chemical Name	3-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
IUPAC Name	3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
InChI	InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1
InChI Key	KYQZWONCHDNPDP-QNDFHXLGSA-N
MDL Number	MFCD00017466
Molecular Formula	C21H20O9
Molecular Weight	416.3781
SMILES	OC1=CC=C(C2=COC(C=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C=C4)=C4C2=O)C=C1
UNII	4R2X91A5M5
Synonyms	7-O-glucosyl-4'-hydroxyisoflavone, daidzin, Daidzin, 552-66-9, Daidzoside, Daidzein 7-O-glucoside, Daidzein 7-glucoside, Daidzein-7-glucoside, daidzein 7-O-beta-D-glucoside, UNII-4R2X91A5M5, daidzein-7-o-glucoside, 7-(beta-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, BRN 0059741, 7-O-B-D-GLUCOPYRANOSIDE, CHEBI:42202, 4R2X91A5M5, Daidzein-7-O-beta-D-glucopyranoside, MFCD00017466, Daidzin, 98%, DZN, NPI 031D, 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-chromen-4-one, 3-(4-hydroxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one, Dadzin, 2vle, Daidzin, analytical standard, 4-18-00-01808 (Beilstein Handbook Reference), MLS006010640, BIDD:ER0154, SCHEMBL315373, daidzein 7-O-|A-D-glucoside, AC1L332Z, CHEMBL486422, MEGxp0_000530, ACon1_002092, BID5420, KYQZWONCHDNPDP-QNDFHXLGSA-N, ZX-AFC000001, Daidzin, >=95.0% (HPLC), 4'-hydroxyisoflavone-7-O-glucoside, HY-N0018, ZINC4098610, Daidzein 7-O-beta-D-glucopyranoside, BDBM50409029, CCG-208383, CS-4237, DB02115, MCULE-3986261063, NCGC00163532-02, NCGC00163532-03, NCGC00179839-01, AN-45851, AS-35078, CC-26231, LS-39679, SC-17324, SMR001833087, AB0010601, FT-0603140, N1807, C10216, 4',7-Dihydroxyisoflavone 7-O-b-D-glucopyranoside, 552D669, C-22005, Daidzin, primary pharmaceutical reference standard, Q-100628, 4',7-DIHYDROXYISOFLAVONE; 7-O-B-D-GLUCOPYRANOSIDE, UNII-71B37NR06D component KYQZWONCHDNPDP-QNDFHXLGSA-N, Daidzin, United States Pharmacopeia (USP) Reference Standard, 3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside, 3-(4-hydroxyphenyl)-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one, 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one, 3-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one, 4',7-Dihydroxyisoflavone, Daidzin, 98% - 5MG 5mg, 7-O-glucosyl-4'-hydroxyisoflavone, Daidzin, 98% - 25MG 25mg, CID107971, ACN-035333, C21-H20-O9, A10283, C013908, 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-, 4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-,

Complexity	644
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	416.111g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	416.382g/mol
Monoisotopic Mass	416.111g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	146A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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