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Cis-2-Hydroxy 4-methoxycinnamic acid 2-glucoside

CAT: 0013-GTR19233221-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233221-01Size:1 mg
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Description
Cis-2-Hydroxy-4-methoxycinnamic acid 2-glucoside is a natural phenolic glycoside used in biochemical research. It serves as a standard in phytochemical and metabolic studies, with applications in investigating antioxidant mechanisms and bioavailability in both in vitro and cellular models.
CAS Number
150892-86-7
Purity
98.18% (May vary between batches)
Solubility
DMSO:200 mg/mL (561.32 mM)
Smiles
O (C1=C (/C=C\C (O) =O) C=CC (OC) =C1) [C@@H]2O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]2O
Molecular Formula
C16H20O9
Molecular Weight
356.3
Storage Conditions
Keep away from direct sunlight | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

2-beta-D-Glucopyranosyloxy-4-methoxy-cis-cinnamic acid

2-beta-D-Glucopyranosyloxy-4-methoxy-cis-cinnamic acid is a glycoside.

CAS Number150892-86-7
PubChem CID24094157
IUPAC Name(Z)-3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
Molecular FormulaC16H20O9
Molecular Weight356.32
XLogP-0.6
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity469
SMILES
COC1=CC(=C(C=C1)/C=C\C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C16H20O9/c1-23-9-4-2-8(3-5-12(18)19)10(6-9)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3-/t11-,13-,14+,15-,16-/m1/s1
InChIKey
FQWZGEBZILOCET-QEQKPWIDSA-N
Chemical Structure
2D Structure
2D structure of 2-beta-D-Glucopyranosyloxy-4-methoxy-cis-cinnamic acid
CAS: 150892-86-7
CID: 24094157
Formula: C16H20O9
MW: 356.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.32
XLogP3-0.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass356.11073221
Monoisotopic Mass356.11073221
Topological Polar Surface Area146 Ų
Heavy Atom Count25
Formal Charge0
Complexity469
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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