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Methyl b-D-glucuronide

CAT: 0926-MM28859-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-MM28859-02Size:100 mg
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CAS Number
4356-84-7
MDL Number
MFCD00057499
Smiles
CO[C@H]1[C@@H] ([C@H] ([C@@H] ([C@H] (O1) C (=O) O) O) O) O
Controlled
No

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...
View on PubChemRaw 3D data
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

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Alternative Products

CatalogName
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294596-01B-Sitosterol b-D-glucuronide methyl ester
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294584-01Raltegravir b-D-glucuronide methyl ester
257715-01Methyl b-D-glucuronide Sodium Salt
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294201-01Methyl salicylate b-D-O-glucuronide methyl ester
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