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Sinapaldehyde glucoside

CAT: 1410-M38299-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M38299-04Size:50 mg
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Description
Reference standards.
CAS Number
154461-65-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
370.35
Molecular Formula
C17H22O9
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Sinapaldehyde Glucoside

(E)-sinapaldehyde 4-O-beta-D-glucopyranoside is a beta-D-glucoside resulting from the formal condensation of the phenolic hydroxy group of (E)-sinapaldehyde with beta-D-glucose. It has a role as a plant metabolite. It is a beta-D-glucoside, a member of cinnamaldehydes, a dimethoxybenzene and a monosaccharide derivative. It is functionally related to an (E)-sinapaldehyde.

CAS Number154461-65-1
PubChem CID25791064
IUPAC Name(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enal
Molecular FormulaC17H22O9
Molecular Weight370.4
XLogP-1.2
Topological Polar Surface Area135
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity457
SMILES
COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)/C=C/C=O
InChI
InChI=1S/C17H22O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-7,12-15,17,19-22H,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1
InChIKey
OYTCTPHTVUEGCL-GCPOEHJPSA-N
Chemical Structure
2D Structure
2D structure of Sinapaldehyde Glucoside
CAS: 154461-65-1
CID: 25791064
Formula: C17H22O9
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.4
XLogP3-1.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass370.12638228
Monoisotopic Mass370.12638228
Topological Polar Surface Area135 Ų
Heavy Atom Count26
Formal Charge0
Complexity457
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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Alternative Products

CatalogName
MS44380-01Sinapaldehyde glucoside
BA1247-250Sinapaldehyde
HY-N1312R-01Sinapaldehyde (Standard)
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OZ30320-01Trans-Zeatin-9-glucoside-o-glucoside
4005687.0025Octyl glucoside
HY-173014Gemfibrozil glucoside
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