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Caffeic acid glucoside

CAT: 0013-GTR19242789Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242789Size:1 mg
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Description
Caffeic acid glucoside is a natural compound for life science research. It is utilized in both in vitro and in vivo studies to investigate its antioxidant and anti-inflammatory properties, which are relevant to areas such as phytochemistry and metabolic research.
CAS Number
892501-29-0
Smiles
O (C (C=CC1=CC (O) =C (O) C=C1) =O) C2O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]2O
Molecular Formula
C15H18O9
Molecular Weight
342.30
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
CAS Number892501-29-0
PubChem CID54444762
IUPAC Name[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular FormulaC15H18O9
Molecular Weight342.30
XLogP-0.6
Topological Polar Surface Area157
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity454
SMILES
C1=CC(=C(C=C1C=CC(=O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
InChI
InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/t10-,12-,13+,14-,15?/m1/s1
InChIKey
WQSDYZZEIBAPIN-GSZWNOCJSA-N
Chemical Structure
2D Structure
2D structure of [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
CAS: 892501-29-0
CID: 54444762
Formula: C15H18O9
MW: 342.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.30
XLogP3-0.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass342.09508215
Monoisotopic Mass342.09508215
Topological Polar Surface Area157 Ų
Heavy Atom Count24
Formal Charge0
Complexity454
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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