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6-O- (E) -Caffeoylglucopyranose

CAT: 1410-M31823-01Size: 1 EachDry Ice: NoHazardous: No
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Description
6-O- (E) -Caffeoylglucopyranose is a natural product for research related to life sciences.
CAS Number
209797-79-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
342.3
Molecular Formula
C15H18O9
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

(3,4,5,6-Tetrahydroxyoxan-2-yl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
CAS Number209797-79-5
PubChem CID85140196
IUPAC Name(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular FormulaC15H18O9
Molecular Weight342.30
XLogP-0.4
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)OCC2C(C(C(C(O2)O)O)O)O)O)O
InChI
InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2
InChIKey
JVVFTHAOTNXPOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3,4,5,6-Tetrahydroxyoxan-2-yl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
CAS: 209797-79-5
CID: 85140196
Formula: C15H18O9
MW: 342.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.30
XLogP3-0.4
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 Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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