AG00IB15

62499-27-8 | b-D-Glucopyranoside, 4-(hydroxymethyl)phenyl

AG00IB15

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CAS Number	62499-27-8
Catalog Number	AG00IB15(AGN-PC-0T4OLX)
Chemical Name	b-D-Glucopyranoside, 4-(hydroxymethyl)phenyl
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
InChI	InChI=1S/C13H18O7/c14-5-7-1-3-8(4-2-7)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	PUQSUZTXKPLAPR-UJPOAAIJSA-N
MDL Number	MFCD00272169
Molecular Formula	C13H18O7
Molecular Weight	286.2778
SMILES	O[C@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)[C@@H]1OC2=CC=C(CO)C=C2
UNII	5YS9U2W3RQ
Synonyms	gastrodin, gastrodine, Gastrodin, 62499-27-8, Gastrodine, UNII-5YS9U2W3RQ, Gastrodin Hemihydrate, 5YS9U2W3RQ, CHEMBL274739, CHEBI:80828, beta-D-Glucopyranoside, 4-(hydroxymethyl)phenyl, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-(hydroxymethyl)phenoxy)tetrahydro-2H-pyran-3,4,5-triol, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol, 4-[beta-d-glucopyranosyloxy] benzyl alcohol, 4-(beta-D-glucopyranosyloxy) benzyl alcohol, Gastrodin,(S), Gastrodin(Gastrodine), Gastrodin (Gastrodine), Gastrodin(Gastrodine) /, AC1L3GGW, 4-(hydroxymethyl)phenyl |A-d-glucopyranoside, 4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside, 2H-pyran-3,4,5-triol, SCHEMBL1076037, Gastrodin, >=98% (HPLC), AC1Q5714, HY-N0115, ZINC3881790, 2424AH, ABP000694, BDBM50177403, C13H18O7.1/2H2O, MFCD00272169, s2383, (4-(hydroxymethyl)phenoxy)tetrahydro-, AKOS015951256, AC-8028, AN-8441, API0002805, BCP9000710, CS-7969, MCULE-1087767842, MCULE-7347418444, NCGC00346601-02, AS-17473, Gastrodin, from Gastrodia alata, >=98%, SC-17325, AB1009350, b-D-Glucopyranoside,4-(hydroxymethyl)phenyl, LS-183144, FT-0655910, N1710, V0273, b-D-Glucopyranoside, 4-(hydroxymethyl)phenyl, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-, C16964, 499G278, Q-100720, NCGC00346601-02_C13H18O7_beta-D-Glucopyranoside, 4-(hydroxymethyl)phenyl, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-(hydroxymethyl)phenoxy)-tetrahydro-2H-pyran-3,4,5-triol, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]tetrahydropyran-3,4,5-triol, null, beta-D-glucopyranoside, C13H18O7, AR-1F7061, CID115067, ACN-035631, C13-H18-O7, 4-(beta-D-glucopyranosyloxy)benzyl alcohol, 4-hydroxybenzyl alcohol 4-o-bata-d-glucoside, A10418, C045345, Gastrodin, 98%, from Gastrodia elata Bl. - 500MG 500mg, 6342-17-2,

Complexity	292
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	-0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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