Arbutin - Synthetic origin

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CAT#:0926-EA01844-01Size:0.5 Kg

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CAS Number

497-76-7

Synonyms

4-Hydroxyphenyl b-D-glucopyranoside; Hydroquinone-b-D-glucoside

MDL Number

MFCD00016915

Smiles

C1=CC (=CC=C1O) O[C@H]2[C@@H] ([C@H] ([C@@H] ([C@H] (O2) CO) O) O) O

Molecular Formula

C12H16O7

Molecular Weight

272.25 g/mol

Controlled

Chemical Information

Arbutin

Hydroquinone O-beta-D-glucopyranoside is a monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage. It has a role as a plant metabolite and an Escherichia coli metabolite. It is a beta-D-glucoside and a monosaccharide derivative. It is functionally related to a hydroquinone.

CAS Number	497-76-7
PubChem CID	440936
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
Molecular Formula	C12H16O7
Molecular Weight	272.25
XLogP	-0.7
Topological Polar Surface Area	120
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	279

SMILES

C1=CC(=CC=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

InChI

InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1

InChIKey

BJRNKVDFDLYUGJ-RMPHRYRLSA-N

Chemical Structure

2D Structure

CAS: 497-76-7

CID: 440936

Formula: C12H16O7

MW: 272.25

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	272.25
XLogP3	-0.7
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	272.08960285
Monoisotopic Mass	272.08960285
Topological Polar Surface Area	120 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	279
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
NAT-0930	Arbutin
257521-01	A-Arbutin
330210	Î±-Arbutin
BA8378-5.1	α-Arbutin

Arbutin - Synthetic origin

Chemical Information

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