6-o- (E) -Caffeoylglucopyranose

CAT: 0926-JIA79779-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-JIA79779-01Size:10 mg

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CAS Number

209797-79-5

Smiles

C1=CC (=C (C=C1C=CC (=O) OCC2C (C (C (C (O2) O) O) O) O) O) O

Molecular Formula

C15H18O9

Molecular Weight

342.3 g/mol

Controlled

Chemical Information

(3,4,5,6-Tetrahydroxyoxan-2-yl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

CAS Number	209797-79-5
PubChem CID	85140196
IUPAC Name	(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Formula	C15H18O9
Molecular Weight	342.30
XLogP	-0.4
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)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

CAS: 209797-79-5

CID: 85140196

Formula: C15H18O9

MW: 342.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	342.30
XLogP3	-0.4
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	0
Undefined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
WCA78179-01	Apigenin 4'-o- (2'',6''-di-o-E-p-coumaroyl) glucoside
IDA94690-01	(E) -6-o- (p-Coumaroyl) scandoside methyl ester
FB74449-01	6-O-Benzoylgomisin O
YSA94820-01	Quercetin 3-o-[2-o- (6-o-E-feruloyl) -beta-D-glucopyranosyl]-beta-D-galactopyranoside
RTA66312-01	3-o- (2'E ,4'E-Decadienoyl) -20-o-acetylingenol
LBC69467-01	1,6-O, o-Diacetylbritannilactone
HQB38795-01	1-o-Deacetylkhayanolide E
XM161618	7-O-Methylgarcinone E
NM144751-01	6-O-Methylinosine
UFA04972-01	6-o-Syringoylajugol

Catalog	Name
379345	6-O- (E) -Caffeoylglucopyranose
MBS5788480	6-O-(E)-Caffeoylglucopyranose
MBS5760066	6-O-benzoylgomisin O
GTR19218393-01	Ladanetin-6-O-β- (6′′-O-acetyl) glucoside
TB017111	1,6-O,O-diacetylbritannilactone
GTR19178267	1,6-O, O-diacetylbritannilactone
D290370	6-O-Desmethoxyethyl-6-O-chloroethyl Erlotinib Hydrochloride
MBS5823607	Ladanetin-6-O-beta-(6''-O-acetyl)glucoside
M39744	Pelargonidin3-O-[6-O- (E) -CaffeoylSophoroside]-5-O- (6-O-malonyl) -β-D-glucoside
BA4327-25	6-O-Methyldeoxyguanosine