AG00I8OW

4773-96-0 | 9H-Xanthen-9-one, 2-b-D-glucopyranosyl-1,3,6,7-tetrahydroxy-

AG00I8OW

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CAS Number	4773-96-0
Catalog Number	AG00I8OW(AGN-PC-0RVZ3C)
Chemical Name	9H-Xanthen-9-one, 2-b-D-glucopyranosyl-1,3,6,7-tetrahydroxy-
IUPAC Name	1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
InChI	InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1
InChI Key	AEDDIBAIWPIIBD-ZJKJAXBQSA-N
MDL Number	MFCD28139337
Molecular Formula	C19H18O11
Molecular Weight	422.3396
SMILES	Oc1c2c(oc3c(c2=O)cc(c(c3)O)O)cc(c1[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O
UNII	1M84LD0UMD
Synonyms	2-beta-D-glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one, 9H-xanthen-9-one, 2-beta-D-glucopyranosyl-1,3,6,7-tetrahydroxy-, alpizarin, chinonin, mangiferin, Mangiferin, 4773-96-0, Alpizarin, Chinomin, Hedysarid, Chinonin, Aphloiol, Alpizarine, UNII-1M84LD0UMD, 1M84LD0UMD, CHEBI:6682, 2-beta-D-glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one, MFCD00075656, (1S)-1,5-anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)-D-glucitol, 1,3,6,7-Tetrahydroxyxanthone-C2-b-D-glucoside, Chinoinin, 9H-Xanthen-9-one, 2-b-D-glucopyranosyl-1,3,6,7-tetrahydroxy-, 9H-Xanthen-9-one, 2-.beta.-D-glucopyranosyl-1,3,6,7-tetrahydroxy-, C19H18O11, NSC 248870, 9H-Xanthen-9-one, 2-beta-D-glucopyranosyl-1,3,6,7-tetrahydroxy-, cid_5358385, Alpizarine;, Mangiferin;, Aphloiol;, Chinomin;, Mangiferin from Mangifera indica bark, NSC248870, Mangiferin,(S), 1,3,6,7-Tetrahydroxy-2-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9H-xanthen-9-one, Xanthone-c-glucoside, 1,3,6,7-tetrahydroxyxanthone C2-beta-D-glucoside, AC1NQYT4, Mangiferin Mangifera indica, SCHEMBL556844, Mangiferin, analytical standard, CHEMBL464825, BCBcMAP01_000240, DTXSID60197263, AEDDIBAIWPIIBD-ZJKJAXBQSA-N, HY-N0290, KS-00000KL9, ZINC4098535, BDBM50248691, AKOS015896788, CS-4663, MCULE-3926908782, SMP1_000290, AS-15337, O907, SC-47346, FT-0686656, N1329, A12088, C10077, 1,3,6,7-Tetrahydroxyxanthone C2-|A-D-glucoside, 773M960, I07-0242, Q-100508, c2-beta-d-glucopyranosyl-1,3,6,7-tetrahydroxyxanthone, Mangiferin, European Pharmacopoeia (EP) Reference Standard, 9H-Xanthen-9-one, 2-beta-D-glucopyranosyl-1,3,6,7-tetrahydroxy- (9CI), 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one, 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]xanthen-9-one, Shamimin, ACN-035519, CID5281647, C19-H18-O11, C013592, Mangiferin, 98%, from Mangifera persiciformis - 100MG 100mg,

Complexity	646
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	422.085g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	8
Isotope Atom Count	0
Molecular Weight	422.342g/mol
Monoisotopic Mass	422.085g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	197A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number