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1- (4-Hydroxybenzoyl) glucose

CAT: 0931-TN2473-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN2473-01Size:1 mg
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CAS Number
25545-07-7
Target
Others
Related Pathways
Others
Bioactivity
1- (4-Hydroxybenzoyl) glucose is a natural product from Luffa cylindrica (L.) Roem.
Smiles
OC[C@H]1O[C@@H](OC(=O)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Molecular Formula
C13H16O8
Molecular Weight
300.263
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-O-4-hydroxybenzoyl-beta-D-glucose

1-O-(4-hydroxybenzoyl)-beta-D-glucopyranose is an O-acyl carbohydrate that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen has been replaced by a 4-hydroxybenzoyl group. It has a role as a plant metabolite. It is a beta-D-glucoside, a benzoate ester, an O-acyl carbohydrate and a monosaccharide derivative.

CAS Number25545-07-7
PubChem CID14132342
IUPAC Name[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-hydroxybenzoate
Molecular FormulaC13H16O8
Molecular Weight300.26
XLogP-0.8
Topological Polar Surface Area137
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity354
SMILES
C1=CC(=CC=C1C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
InChI
InChI=1S/C13H16O8/c14-5-8-9(16)10(17)11(18)13(20-8)21-12(19)6-1-3-7(15)4-2-6/h1-4,8-11,13-18H,5H2/t8-,9-,10+,11-,13+/m1/s1
InChIKey
XWTGDGASXRARSP-HMUNZLOLSA-N
Chemical Structure
2D Structure
2D structure of 1-O-4-hydroxybenzoyl-beta-D-glucose
CAS: 25545-07-7
CID: 14132342
Formula: C13H16O8
MW: 300.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.26
XLogP3-0.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass300.08451746
Monoisotopic Mass300.08451746
Topological Polar Surface Area137 Ų
Heavy Atom Count21
Formal Charge0
Complexity354
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
ABA54507-011- (4-Hydroxybenzoyl) glucose
MBS57611251-(4-Hydroxybenzoyl)glucose
MBS57879366-O-(p-Hydroxybenzoyl)glucose
GTR191796116-O- (p-Hydroxybenzoyl) glucose
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RG-A080304-01Glucose Impurity 4
MD161519-01D-Glucose-4-D
GWB-5B394FGlucose Transporter 4 Antibody
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