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D-Glucurono-6,3-lactone

CAT: 0203-16908-82Size: 25 gDry Ice: NoHazardous: No
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CAT#:0203-16908-82Size:25 g
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CAS Number
32449-92-6
Purity
≧ 99.0% (T)
Storage Conditions
Room Temperature
Grade
GR (Guaranteed Reagent)

Chemical Information

Glucuronolactone

D-glucurono-6,3-lactone is a glucuronolactone. It has a role as a mouse metabolite and a human metabolite. It is functionally related to a D-glucuronic acid.

CAS Number32449-92-6
PubChem CID92283
IUPAC Name(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetaldehyde
Molecular FormulaC6H8O6
Molecular Weight176.12
XLogP-1.8
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity202
SMILES
C(=O)[C@@H]([C@@H]1[C@@H]([C@@H](C(=O)O1)O)O)O
InChI
InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H/t2-,3+,4-,5+/m0/s1
InChIKey
UYUXSRADSPPKRZ-SKNVOMKLSA-N
Chemical Structure
2D Structure
2D structure of Glucuronolactone
CAS: 32449-92-6
CID: 92283
Formula: C6H8O6
MW: 176.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight176.12
XLogP3-1.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass176.03208797
Monoisotopic Mass176.03208797
Topological Polar Surface Area104 Ų
Heavy Atom Count12
Formal Charge0
Complexity202
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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