AG003JL4

487-60-5 | 3-Indolyl-b-D-glucopyranoside

AG003JL4

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CAS Number	487-60-5
Catalog Number	AG003JL4(AGN-PC-0S0MRB)
Chemical Name	3-Indolyl-b-D-glucopyranoside
EC Number	610-433-2
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol
InChI	InChI=1S/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2/t10-,11-,12+,13-,14-/m1/s1
InChI Key	XVARCVCWNFACQC-RKQHYHRCSA-N
MDL Number	MFCD10565594
Molecular Formula	C14H17NO6
Molecular Weight	295.2879
SMILES	O[C@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)[C@@H]1OC2=CNC3=C2C=CC=C3
UNII	N187WK1Y1J
Synonyms	1H-indol-3-yl beta-glucopyranoside, indican, plant, INDICAN, 487-60-5, 3-Indoxyl-beta-D-glucopyranoside, Uroxanthin, Indoxyl |A-D-glucoside, 3-INDOLYL B-D-GLUCOPYRANOSIDE, 3-Indolyl-b-D-glucopyranoside, UNII-N187WK1Y1J, Indikan, N187WK1Y1J, Indican, plant, CHEBI:16700, Indican (glucoside), MFCD00047169, Plant indican, 1H-indol-3-yl beta-D-glucopyranoside, Indican (plant indican), Indoxyl-beta-D-glucoside, Indoxyl-beta-D-glucoside, 98%, Indoxyl beta-D-glucoside, 3-(Glucosyloxy)indole, Indoxyl-.beta.-D-glucoside, 3-Indoxyl-beta-D-glucopyranoside trihydrate, Indican-Reaktion, .beta.-D-Glucopyranoside, 1H-indol-3-yl, 1H-Indol-3-yl beta-glucopyranoside, NSC 87517, Indoxyl b-D-glucoside, AC1L9BBV, 3-Indoxyl-beta-D-glucoside, 3-(beta-D-Glucosido)indole, SCHEMBL15756, BIMB0907, CHEMBL2063300, 3-Indolyl-beta-D-glucopyranoside, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol, XVARCVCWNFACQC-RKQHYHRCSA-N, ZX-AFC000262, Indoxyl beta-D-glucoside, >=97%, ZINC4097614, AKOS016844826, 3-Indolyl |A-D-glucopyranoside, 98%, beta-D-Glucopyranoside, 1H-indol-3-yl, Indole, 3-(beta-D-glucopyranosyloxy)-, SMP2_000304, AJ-48004, AK135485, beta-D-Galactopyranoside, 1H-indol-3-yl, AX8134681, FT-0627234, Indoxyl beta-D-glucoside, BioXtra, >=97%, W0188, A-7986, 487I605, I07-347, Indoxyl beta-D-glucoside, Vetec(TM) reagent grade, 97%, 2-(hydroxymethyl)-6-(1H-indol-3-yloxy)tetrahydropyran-3,4,5- triol, (2S,3R,4S,5S,6R)-2-(1H-indol-3-yloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, (2S,3R,4S,5S,6R)-2-((1H-Indol-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, 3-(beta-glucosido)indole, C14H17NO6, C14-H17-N-O6, CID441564, 1H-Indol-3-yl-beta-D-glucopyranoside, 3-Indolyl beta-D-glucopyranoside, 98% - 100MG 100mg, 126787-65-3,

Complexity	356
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	295.106g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	295.291g/mol
Monoisotopic Mass	295.106g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	115A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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