AG003PYB

531-75-9 | 6-​(β-​D-​Glucopyranosyloxy)​-​7-​hydroxy-​2H-​1-​benzopyran-​2-​one

AG003PYB

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	531-75-9
Catalog Number	AG003PYB(AGN-PC-0SEK5I)
Chemical Name	6-​(β-​D-​Glucopyranosyloxy)​-​7-​hydroxy-​2H-​1-​benzopyran-​2-​one
EC Number	208-517-5
IUPAC Name	7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
InChI	InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1
InChI Key	XHCADAYNFIFUHF-TVKJYDDYSA-N
MDL Number	MFCD00149492
Molecular Formula	C15H16O9
Molecular Weight	340.2821
SMILES	[C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)OC=1C(=CC2=C(C=CC(O2)=O)C1)O
UNII	1Y1L18LQAF
Synonyms	Aesculin, Esculin, Esculoside, Venoplant, Esculin, aesculin, 531-75-9, Esculoside, (-)-Esculin, Polychrome, Esculin hydrate, 6,7-Dihydroxycoumarin-6-O-glucoside, Aesculinum, Esculine, Esculetin 6-O-glucoside, 6,7-Dihydroxycoumarin 6-glucoside, UNII-1Y1L18LQAF, Esculetin 6-beta-D-glucoside, 6-(beta-D-Glucopyranosyloxy)-7-hydroxy-cumarin, 7-Hydroxy-6-cumarinyl-glucosid, 6-(beta-D-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one, 1Y1L18LQAF, CHEBI:4853, XHCADAYNFIFUHF-TVKJYDDYSA-N, Aesculetin glukosid, 7-Hydroxy-6-glucosyloxy-2H-chromene, Esculin hydrate, 97%, Venoplant, Esculin sesquihydrate, MFCD00149492, Enallachrome, Bicolorin, Crataegin, Escosyl, Polychrom, 7-hydroxy-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-chromen-2-one, CCRIS 5724, 7-hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside, Vitamin C2, EINECS 208-517-5, 7-Hydroxy-6-glucosyloxy-2H-chromen, NSC 26665, 66778-17-4, Esculina, 2H-1-Benzopyran-2-one, 6-(beta-D-glucopyranosyloxy)-7-hydroxy-, SR-01000633930, NSC-26665, esculetin glukosid, Aesculin(Esculin), NCGC00016491-01, CAS-531-75-9, Aesculin (Esculin), Aesculin sesquihydrate, AC1NQYFK, Spectrum_000361, Spectrum2_000576, Spectrum3_000731, Spectrum4_001923, Spectrum5_000845, AC1Q77SX, SCHEMBL2893, DSSTox_CID_25318, DSSTox_RID_80798, DSSTox_GSID_45318, Esculetin 6-|A-D-glucoside, BSPBio_002282, KBioGR_002266, KBioSS_000841, DivK1c_000956, SPECTRUM1500901, SPBio_000392, CHEMBL482581, DTXSID7045318, Esculetin-6-b-D-glucopyranoside, BCBcMAP01_000202, Esculetin 6-.beta.-D-glucoside, HMS502P18, KBio1_000956, KBio2_000841, KBio2_003409, KBio2_005977, KBio3_001502, BIE3461, NINDS_000956, HMS1921M16, Esculetin-6-beta-D-glucopyranoside, ZINC3860441, Tox21_110453, CCG-38501, GC4131, MFCD00006879, s2258, AKOS015895151, AN-8433, DB13155, EBD2138591, MCULE-8058387809, SDCCGMLS-0066653.P001, IDI1_000956, SMP1_000008, 6,7-Dihydroxycoumarine-6-glucopyranoside, SC-15781, TL8003492, E0024, FT-0603455, N1766, 7-Hydroxycoumarin-6-yl beta-D-Glucopyranoside, C09264, 6-(.beta.-D-Glucopyranosyloxy)-7-hydroxy-cumarin, 6,7-dihydroxycoumarin 6-(beta-D-glucopyranoside);, SR-01000633930-1, SR-01000633930-3, BRD-K51742987-001-02-3, BRD-K51742987-002-02-1, Esculin, European Pharmacopoeia (EP) Reference Standard, 2H-1-Benzopyran-2-one,6-(b-D-glucopyranosyloxy)-7-hydroxy-, 6-(.beta.-D-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one, 7-hydroxy-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-2H-chromen-2-one, 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one, 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one, 7-hydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one, C15H16O9, ZINC04245693, Esculin hydrate, 98% - 25G 25g, ACN-035558, C15-H16-O9, CID5281417, CS-O-01441, A10044, D004929, 2H-1-Benzopyran-2-one, 6-(.beta.-D-glucopyranosyloxy)-7-hydroxy-, 2H-1-Benzopyran-2-one, 6-(.beta.-D-glucopyranosyloxy)-7-hydroxy-, sesquihydrate,

Complexity	495
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	340.079g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	340.284g/mol
Monoisotopic Mass	340.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	146A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number