Caffeic acid 3-b-D-glucoside

CAT: 0862-GC3896-10mgSize: 10 mgDry Ice: NoHazardous: No

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CAT#:0862-GC3896-10mgSize:10 mg

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CAS Number

24959-81-7

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Chemical Information

Caffeic acid 3-(beta-1-glucoside)

CAS Number	24959-81-7
PubChem CID	442776
IUPAC Name	3-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
Molecular Formula	C15H18O9
Molecular Weight	342.30
XLogP	-1.4
Topological Polar Surface Area	157
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	454

SMILES

C1=CC(=C(C=C1C=CC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O

InChI

InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-5-7(1-3-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/t10-,12-,13+,14-,15-/m1/s1

InChIKey

QOPSZFXPZWQLOG-TVKJYDDYSA-N

Chemical Structure

2D Structure

CAS: 24959-81-7

CID: 442776

Formula: C15H18O9

MW: 342.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	342.30
XLogP3	-1.4
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	342.09508215
Monoisotopic Mass	342.09508215
Topological Polar Surface Area	157 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	454
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GC3370-2mg	Caffeic acid 3-O-β-D-glucuronide
GC3370-5mg	Caffeic acid 3-O-β-D-glucuronide
GC3370-10mg	Caffeic acid 3-O-β-D-glucuronide
GC3370-1mg	Caffeic acid 3-O-β-D-glucuronide
GC3274-5mg	Mycophenolic acid phenolic b-D-glucoside
GC3274-10mg	Mycophenolic acid phenolic b-D-glucoside
GC3274-2mg	Mycophenolic acid phenolic b-D-glucoside
GC3274-1mg	Mycophenolic acid phenolic b-D-glucoside
GC9169-50mg	Quercetin 3-b-D-glucoside
GC9169-10mg	Quercetin 3-b-D-glucoside

Catalog	Name
005498	Caffeic Acid 3-β-D-Glucoside
MBS6033449-01	Caffeic Acid 3-beta-D-Glucoside
TN8786-01	Caffeic acid glucoside
T125634-01	Caffeic acid 4-O-glucoside
MC16643-01	Caffeic acid 3-O-b-D-glucopyranoside
292935-01	Caffeic acid 3-O-b-D-glucuronide
005496	Caffeic Acid 3-β-D-Glucuronide
TRC-C080015-1MG	Caffeic Acid 3-beta-D-Glucuronide
MC32166-01	Caffeic acid 3-O-β-D-glucuronide
005497	Caffeic Acid 4-β-D-Glucuronide