AG001418

137887-25-3 | 6-O-Feruloylglucose

AG001418

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	137887-25-3
Catalog Number	AG001418(AGN-PC-0PLTVY)
Chemical Name	6-O-Feruloylglucose
IUPAC Name	[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
InChI	InChI=1S/C16H20O9/c1-24-13-6-9(2-4-10(13)18)3-5-14(21)25-8-12(20)16(23)15(22)11(19)7-17/h2-7,11-12,15-16,18-20,22-23H,8H2,1H3/b5-3+/t11-,12+,15+,16+/m0/s1
InChI Key	SQBITMSCIPALTP-LFJMMHPDSA-N
MDL Number	MFCD18643048
Molecular Formula	C16H20O9
Molecular Weight	356.3246
SMILES	COc1cc(C=CC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)ccc1O
Synonyms	6-O-Feruloylglucose, 137887-25-3, (2R,3R,4S,5R)-2,3,4,5-Tetrahydroxy-6-oxohexyl 3-(4-hydroxy-3-methoxyphenyl)acrylate, 6-O-(e)-feruloyl-glucose, 6-O-(E)-p-Feruloyl-glucose, ZINC87493018, AJ-127984, ST24033994, W2156, C16H20O9,

Complexity	453
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	1
Exact Mass	356.111g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	356.327g/mol
Monoisotopic Mass	356.111g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	154A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number