AG001DZ3

1464-44-4 | β-D-Glucopyranoside, phenyl

AG001DZ3

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CAS Number	1464-44-4
Catalog Number	AG001DZ3(AGN-PC-0PYR68)
Chemical Name	β-D-Glucopyranoside, phenyl
EC Number	215-978-6
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
InChI	InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12-/m1/s1
InChI Key	NEZJDVYDSZTRFS-RMPHRYRLSA-N
MDL Number	MFCD00064089
Molecular Formula	C12H16O6
Molecular Weight	256.2518
SMILES	O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC=CC=C2)[C@H](O)[C@H]1O
UNII	4W3PGI3766
Synonyms	phenyl beta-D-glucopyranoside, phenyl-beta-glucoside, phenylglucoside, phenylglucoside, (alpha-(D))-isomer, phenylglucoside, (alpha-(L))-isomer, Phenyl-beta-D-glucopyranoside, Phenyl beta-D-glucopyranoside, 1464-44-4, Phenylglucoside, Phenol glucoside, Phenyl beta-D-glucoside, Phenyl-beta-D-glucoside, .beta.-D-Glucopyranoside, phenyl, Phenyl b-D-glucopyranoside, UNII-4W3PGI3766, beta-D-Glucopyranoside, phenyl, Aryl beta-D-glucoside, Glucopyranoside, phenyl-, beta-D-, (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-phenoxytetrahydro-2H-pyran-3,4,5-triol, EINECS 215-978-6, BRN 0087517, NEZJDVYDSZTRFS-RMPHRYRLSA-N, 4W3PGI3766, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxy-tetrahydropyran-3,4,5-triol, C12H16O6, phenyl |A-D-glucoside, Phenyl hexopyranoside #, phenyl-beta-glucopyranoside, bmse000770, Phenyl-.beta.-D-glucoside, AC1L22JP, 5-17-07-00046 (Beilstein Handbook Reference), CHEBI:8083, SCHEMBL1004929, CHEMBL4105357, Phenyl-.beta.-D-glucopyranoside, BDBM36025, HMS1614E16, ACT03238, ZINC4096022, Phenyl beta-D-glucopyranoside, 97%, CP-419, GC6682, Glucopyranoside, phenyl-, .beta.-D-, CCG-249827, MCULE-4450022695, MCULE-6682237129, NCGC00385978-01, AJ-47978, AK117019, AN-49264, CC-33690, LS-71580, AX8147640, Phenyl beta-D-glucopyranoside hydrate, 98%, FT-0633571, P0178, X6681, C03097, C11611, K-4680, 464P444, C-25649, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol, (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-phenoxy-tetrahydro-2H-pyran-3,4,5-triol, CID65080, Glucopyranoside, phenyl, .beta.-D-, C12-H16-O6, Phenyl beta-D-glucopyranoside, 98% - 25G 25g,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	256.095g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	256.254g/mol
Monoisotopic Mass	256.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	99.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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