AG00I7PM

38963-94-9 | 2-Butanone, 4-[4-(b-D-glucopyranosyloxy)phenyl]-

AG00I7PM

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CAS Number	38963-94-9
Catalog Number	AG00I7PM(AGN-PC-0RI9JT)
Chemical Name	2-Butanone, 4-[4-(b-D-glucopyranosyloxy)phenyl]-
IUPAC Name	4-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one
InChI	InChI=1S/C16H22O7/c1-9(18)2-3-10-4-6-11(7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,12-17,19-21H,2-3,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1
InChI Key	IDONYWHRKBUDOR-IBEHDNSVSA-N
MDL Number	MFCD09838679
Molecular Formula	C16H22O7
Molecular Weight	326.3417
SMILES	CC(CCC1=CC=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=C1)=O
UNII	W3LCK69N6O
Synonyms	Raspberry ketone glucoside, 38963-94-9, Raspberryketone glucoside, UNII-W3LCK69N6O, 4-(4-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)butan-2-one, W3LCK69N6O, (4-Hydroxyphenyl)-2-butanone beta-d-glucoside, Oristar RKG, 4-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one, Raspberryketone glucoside TH, Raspberry ketone beta-d-glucoside, Raspberryketone glucoside [INCI], Raspberry ketone beta-d-glucopyranoside, AC1NSZKR, 4-(4-Hydroxyphenyl)-2-butanone beta-D-glucoside, 4-(P-hydroxyphenyl)-2-butanone beta-D-glucoside, 2-Butanone, 4-(4-(beta-d-glucopyranosyloxy)phenyl)-, MEGxp0_000222, SCHEMBL8976171, 4-(4'-Hydroxylphenyl)-2-butanone 4'-O-glucopyranoside, DTXSID80192255, MFCD09838679, ZINC33833283, AKOS022174882, AJ-86343, AK142163, AS-15354, AX8150252, 4-(3-Oxobutyl)phenyl beta-D-glucopyranoside, K-8452, 963R949, 4-(4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)phenyl)butan-2-one, Phenylbutanone-glucoside, RASPBERRYKETONEGLUCOSIDE, 4-[4- phenyl]-2-butanone, C16H22O7, ACN-047370, CID5320521, P001, 4-[4-(beta-d-glucopyranosyloxy)phenyl]-2-butanone, 4-(p-Hydroxyphenyl)-2-butanone-beta-D-glucopyranoside,

Complexity	381
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	326.137g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	326.345g/mol
Monoisotopic Mass	326.137g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	116A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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