Products for Research Use Only

Methyl β-Glucuronide

CAT: 1299-RG-G122105-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1299-RG-G122105-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
4356-84-7
Synonyms
Glucopyranosiduronic acid, methyl, β-D- (6CI,7CI,8CI) ; Methyl β-D-glucopyranosiduronic acid; Methyl β-D-glucuronide; (2S,3S,4S,5R,6R) -3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-carboxylic acid
Molecular Formula
C7H12O7
Molecular Weight
208.17
Target Alternative Name
Glucuronide
Product Name Synonym
Glucopyranosiduronic acid, methyl, β-D- (6CI,7CI,8CI) ; Methyl β-D-glucopyranosiduronic acid; Methyl β-D-glucuronide; (2S,3S,4S,5R,6R) -3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-carboxylic acid

Chemical Information

Methyl beta-D-glucuronide

Methyl beta-D-glucuronoside is a derivative of beta-D-glucuronic acid in which a methyl group is present at the anomeric position. It is functionally related to a beta-D-glucuronic acid.

CAS Number4356-84-7
PubChem CID165220
IUPAC Name(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxane-2-carboxylic acid
Molecular FormulaC7H12O7
Molecular Weight208.17
XLogP-1.8
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity218
SMILES
CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
InChI
InChI=1S/C7H12O7/c1-13-7-4(10)2(8)3(9)5(14-7)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3-,4+,5-,7+/m0/s1
InChIKey
BOFXVYGDIRCHEQ-GHQVIJFQSA-N
Chemical Structure
2D Structure
2D structure of Methyl beta-D-glucuronide
CAS: 4356-84-7
CID: 165220
Formula: C7H12O7
MW: 208.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight208.17
XLogP3-1.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass208.05830272
Monoisotopic Mass208.05830272
Topological Polar Surface Area116 Ų
Heavy Atom Count14
Formal Charge0
Complexity218
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes