AG00IAN4

60-81-1 | 1-Propanone,1-[2-(b-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-

AG00IAN4

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CAS Number	60-81-1
Catalog Number	AG00IAN4(AGN-PC-0SXTG3)
Chemical Name	1-Propanone,1-[2-(b-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-
IUPAC Name	1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
InChI	InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
InChI Key	IOUVKUPGCMBWBT-QNDFHXLGSA-N
MDL Number	MFCD00006591
Molecular Formula	C21H24O10
Molecular Weight	436.4093
SMILES	[C@@H]3(OC1=C(C(=CC(=C1)O)O)C(=O)CCC2=CC=C(O)C=C2)O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO
UNII	CU9S17279X
Synonyms	Phlorhizin, Phloridzin, Phlorizin, Phlorizin, Phloridzin, 60-81-1, Phlorhizin, Phlorizoside, Floridzin, Phlorrhizin, Phloretin 2'-glucoside, Phloridzosid, Phlorrhizen, Phlorizine, UNII-CU9S17279X, Phloretin-2'-O-beta-glucoside, AI3-19835, NSC 2833, Phloridzin dihydrate, EINECS 200-487-1, Phloretin-2'-beta-glucoside, CHEBI:8113, CHEMBL245067, IOUVKUPGCMBWBT-QNDFHXLGSA-N, CU9S17279X, 2'-(beta-D-Glucopyranosyloxy)-4',6'-dihydroxy-3-(4-hydroxyphenyl)propiophenone, 1-[2-(beta-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone, 1-Propanone, 1-(2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, 1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)propan-1-one, 7061-54-3, 1-Propanone, 1-[2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-, 1-(2,4-dihydroxy-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-3-(4-hydroxyphenyl)propan-1-one, 1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one, 1-{6-[(2S,4S,5S,3R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetrahydr opyran-2-yloxy)]-2,4-dihydroxyphenyl}-3-(4-hydroxyphenyl)propan-1-one, SR-01000781913, Phloridzinum, Lopin, NSC-2833, 1-Propanone, 1-[2-(.beta.-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-, O-glucoside, 1, AK-49080, Phlorizin(Phloridzin), Phlorizin (Phloridzin), Spectrum_001291, SpecPlus_000325, AC1L1LQO, Spectrum2_000701, Spectrum3_001227, Spectrum4_001651, Spectrum5_000521, Phloretin-2'-O-glucoside, SCHEMBL17290, BSPBio_002674, KBioGR_002141, KBioSS_001771, SPECTRUM300547, JMC511145 Compound 1, DivK1c_006421, SPBio_000881, GTPL4757, DTXSID3075339, BDBM20875, KBio1_001365, KBio2_001771, KBio2_004339, KBio2_006907, KBio3_002174, Phloretin-2'-O-.beta.-glucoside, HMS2090P10, Phloretin 2'-ss-D-glucopyranoside, ACT03316, HY-N0143, ZINC3875408, CB0033, CCG-38341, s2343, SBB005924, 4,6-dihydroxy-2-(beta-D-glucosido)-beta-(p-hydroxyphenyl)propiophenone, AKOS015920054, AC-7976, AN-8459, CS-2013, EBD2185047, SDCCGMLS-0066626.P001, NCGC00142423-01, NCGC00142423-02, AJ-46424, AS-15724, AT-24361, BC653192, BR-49080, Q438, SC-47270, ST055878, ST057167, AB0017585, AX8147787, LS-123021, FT-0603255, N1876, P0248, ST24031535, C01604, S-2838, 006P591, Q-100699, SR-01000781913-2, SR-01000781913-4, SR-01000781913-5, BRD-K73756878-001-02-9, 1-(2-(beta-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)-propan-1-on, 1-[2-(.beta.-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone, 1-[2-(?-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone, 1-[2-(ss-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone, 1-Propanone, 1-[2-(b-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-, 1-Propanone,1-[2-(b-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-, 2'-(.beta.-D-glucopyranosyloxy)-4',6'-dihydroxy-3-(4-hydroxyphenyl)propiophenone, 3,5-dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl beta-D-glucopyranoside, 1-(2,4-dihydroxy-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)phenyl)-3-(4-hydroxyphenyl)propan-1-one, 1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one, 1-{2,4-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetrahydropy ran-2-yloxy)]phenyl}-3-(4-hydroxyphenyl)propan-1-one, hydrate, Phlorizin dihydrate, Phlorizin, dihydrate, UNII-CRK54BIJ5D, Phloridzin dihydrate [MI], D06WAL, CHEMBL241384, CID6072, NSC2833, C21H24O10, ACN-035396, C21-H24-O10, phlorizin (sometimes spelled "phloridzin"), A10724, D010695, 2'-(beta-D-glucopyranosyloxy)-4',6'-dihydroxy-3-(4-hydroxyphenyl)propiophenon, 1-Propanone, 1-(2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, dihydrate, 1-Propanone, 1-(2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, hydrate (1:2), 1-Propanone, 1-[2-(.beta.-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-, dihydrate,

Complexity	581
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	436.137g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	436.413g/mol
Monoisotopic Mass	436.137g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	177A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

Lot Number