AG0017T3

138-52-3 | β-D-Glucopyranoside, 2-(hydroxymethyl)phenyl

AG0017T3

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CAS Number	138-52-3
Catalog Number	AG0017T3(AGN-PC-0PMVF2)
Chemical Name	β-D-Glucopyranoside, 2-(hydroxymethyl)phenyl
EC Number	205-331-6
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
InChI	InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
InChI Key	NGFMICBWJRZIBI-UJPOAAIJSA-N
MDL Number	MFCD00006590
Molecular Formula	C13H18O7
Molecular Weight	286.2778
NSC Number	758201
SMILES	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)OC1=C(C=CC=C1)CO
UNII	4649620TBZ
Synonyms	salicin, salicyl alcohol glucoside, salicin, 138-52-3, Salicoside, Salicine, Salicyl alcohol glucoside, D-(-)-Salicin, (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(2-(hydroxymethyl)phenoxy)tetrahydro-2H-pyran-3,4,5-triol, 2-(Hydroxymethyl)phenyl beta-D-glucopyranoside, Saligenin beta-D-glucopyranoside, D-Salicin, Saligenin-beta-D-glucopyranoside, D(-)-Salicin, 2-(Hydroxymethyl)phenyl-beta-d-glucopyranoside, Salicin (6CI,8CI), MFCD00006590, o-(Hydroxymethyl)phenyl beta-D-glucopyranoside, Benzyl alcohol, o-hydroxy-, o-glucoside, UNII-4649620TBZ, AI3-19099, alpha-Hydroxy-o-tolyl beta-D-glucopyranoside, NSC 5751, EINECS 205-331-6, SPECTRUM1502255, B-D-Glucopyranoside, 2-(hydroxymethyl)phenyl, CHEBI:17814, beta-D-Glucopyranoside, 2-(hydroxymethyl)phenyl, D-()-Salicin, 4649620TBZ, SDCCGMLS-0066698.P001, NCGC00142605-01, D(-)-Salicin, 99+%, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol, (2S,4S,5S,3R,6R)-6-(hydroxymethyl)-2-[2-(hydroxymethyl)phenoxy]-2H-3,4,5,6-tet rahydropyran-3,4,5-triol, SMR000112301, Salicin [USP], SR-05000001594, delta-Salicin, Salicoside,Salicine, AK-58886, Spectrum_001230, Spectrum2_000756, Spectrum3_000948, Spectrum4_001058, Spectrum5_000971, bmse000315, Salicin from Plant Extract, Salicyl alcohol-b-glucoside, SCHEMBL24936, KBioGR_001356, KBioSS_001710, Saligenin-b-D-glucopyranoside, KSC914S4F, MLS000563050, MLS001306490, DivK1c_000030, S0625_SIGMA, Salicin(Salicoside,-Salicine), SPBio_000772, AC1L97H8, CHEMBL462997, MEGxp0_000685, Salicin (Salicoside, Salicine), ACon1_000373, CTK8B4942, HMS500B12, KBio1_000030, KBio2_001710, KBio2_004278, KBio2_006846, KBio3_002016, BIK9020, NGFMICBWJRZIBI-UJPOAAIJSA-N, NINDS_000030, HMS1921P08, HMS2092F14, HMS2268J11, Pharmakon1600-01502255, EBD45938, HY-N0149, Saligenin beta-delta-glucopyranoside, Saligenin-beta-delta-glucopyranoside, ZINC3847505, D-(-)-Salicin, analytical standard, Salicoside, Salicine, 138-52-3, ANW-46774, CCG-40332, CS0013, NSC758201, s2351, SBB012498, ZINC03847505, AKOS004907439, AC-8042, API0004125, CS-8027, D-(-)-Salicin, >=99% (GC), MCULE-4540152608, MCULE-8469382160, NSC-758201, RTR-031159, IDI1_000030, NCGC00142605-02, NCGC00142605-04, AJ-45866, CJ-10812, LS-71545, SC-11370, ST069327, SBI-0051746.P002, AX8002670, ST2414222, 2(hydroxymethyl)phenyl-beta-D-glucopyranoside, FT-0603347, N1880, S0003, SW219123-1, A-8126, C01451, 2-(Hydroxymethyl)-phenyl-beta-D-glucopyranoside, 2-(hydroxymethyl)phenyl-O-beta-D-glucopyranoside, AB00052296_07, beta-D-Glucopyranoside, 2-(hydroxymethyl)phenyl-, 138S523, SR-05000001594-1, SR-05000001594-2, BRD-K64614248-001-02-4, BRD-K64614248-001-06-5, EAD32BE1-198E-432C-9F44-DC0DC9A3305B, Salicin, European Pharmacopoeia (EP) Reference Standard, D-Salicin, United States Pharmacopeia (USP) Reference Standard, (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(2-(hydroxymethyl)-phenoxy)tetrahydro-2H-pyran-3,4,5-triol, SA0, D(?)-Salicin, D06BQU, C8H10O, C13H18O7, Salicin 99% for microbiology 5gm, CID439503, 2-(Hydroxymethyl)phenyl hexopyranoside, ?-Hydroxy-o-tolyl-?-D-glucopyranoside, ACN-035619, C13-H18-O7, D-(-)-Salicin, 98% - 5G 5g, A10820, .beta.-D-Glucopyranoside, 2-(hydroxymethyl)phenyl, C005696,

Complexity	300
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	286.105g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	286.28g/mol
Monoisotopic Mass	286.105g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	120A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H317
Packing Group	Ⅲ
Precautionary statements	P261-P280
UN Code	UN 1791

Certificate of Analysis

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