7-Hydroxy Coumarin β-D-Glucuronide Methyl Ester

CAT: 0024-sc-490282Size: 2.5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-490282Size:2.5 mg

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CAS Number

1176514-11-6

Chemical Information

7-Hydroxy Coumarin |A-D-Glucuronide Methyl Ester

CAS Number	1176514-11-6
PubChem CID	71748956
IUPAC Name	methyl (2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(2-oxochromen-7-yl)oxyoxane-2-carboxylate
Molecular Formula	C16H16O9
Molecular Weight	352.29
XLogP	0.3
Topological Polar Surface Area	132
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	548

SMILES

COC(=O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)OC2=CC3=C(C=C2)C=CC(=O)O3)O)O)O

InChI

InChI=1S/C16H16O9/c1-22-15(21)14-12(19)11(18)13(20)16(25-14)23-8-4-2-7-3-5-10(17)24-9(7)6-8/h2-6,11-14,16,18-20H,1H3/t11-,12-,13+,14-,16+/m1/s1

InChIKey

NLCKRAQRRCQKMC-SSZWKKLZSA-N

Chemical Structure

2D Structure

CAS: 1176514-11-6

CID: 71748956

Formula: C16H16O9

MW: 352.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	352.29
XLogP3	0.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	352.07943208
Monoisotopic Mass	352.07943208
Topological Polar Surface Area	132 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	548
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-217443	7-Hydroxy Coumarin-13C6 β-D-Glucuronide
sc-210617C	7-Hydroxy Coumarin β-D-Glucuronide Sodium Salt
sc-210617B	7-Hydroxy Coumarin β-D-Glucuronide Sodium Salt
sc-210617A	7-Hydroxy Coumarin β-D-Glucuronide Sodium Salt
sc-210617	7-Hydroxy Coumarin β-D-Glucuronide Sodium Salt
sc-490674	7-Hydroxy Coumarin 2,3,4-Tri-O-acetyl-β-D-glucuronide Methyl Ester
sc-488549	4-Hydroxy propranolol β-D-glucuronide methyl ester
sc-217445	7-Hydroxy Coumarin-d5 β-D-Glucuronide Sodium Salt
sc-218064	Daidzein 7-β-D-Glucuronide Methyl Ester
sc-218001	D- (-) -Norgestrel β-D-Glucuronide Methyl Ester

Catalog	Name
013604	7-Hydroxy Coumarin β-D-Glucuronide Methyl Ester
MBS6039582-01	7-Hydroxy Coumarin beta-D-Glucuronide Methyl Ester
MH16745-01	7-Hydroxy coumarin b-D-glucuronide methyl ester
018525	D- (-) -Norgestrel β-D-Glucuronide Methyl Ester
MB10417-01	Bromoxynil D-glucuronide methyl ester
257489-01	Octyl D-glucuronide methyl ester
456250-01	Minoxidil β-D-Glucuronide Methyl Ester
011657	Ethyl β-D-Glucuronide Methyl Ester
294435-01	Propofol-D-glucuronide methyl ester
020460	Raltegravir β-D-Glucuronide Methyl Ester