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3-Deoxy-D-fructose

CAT: 0862-GC6222-50mgSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0862-GC6222-50mgSize:50 mg
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CAS Number
6196-57-2
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Chemical Information

3-Deoxyfructose

3-deoxy-keto-D-fructose is a deoxyketohexose that is keto-D-fructose that is lacking the hydroxy group at position 3. A metabolite of 3-deoxyglucosone, a dicarbonyl sugar synthesised through the Maillard reaction. It is an alpha-hydroxy ketone, a hexanone, a deoxyketohexose and a beta-hydroxy ketone.

CAS Number6196-57-2
PubChem CID3080627
IUPAC Name(4S,5R)-1,4,5,6-tetrahydroxyhexan-2-one
Molecular FormulaC6H12O5
Molecular Weight164.16
XLogP-2.7
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity124
SMILES
C([C@@H]([C@@H](CO)O)O)C(=O)CO
InChI
InChI=1S/C6H12O5/c7-2-4(9)1-5(10)6(11)3-8/h5-8,10-11H,1-3H2/t5-,6+/m0/s1
InChIKey
OXFWZSUJNURRMW-NTSWFWBYSA-N
Chemical Structure
2D Structure
2D structure of 3-Deoxyfructose
CAS: 6196-57-2
CID: 3080627
Formula: C6H12O5
MW: 164.16
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.16
XLogP3-2.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass164.06847348
Monoisotopic Mass164.06847348
Topological Polar Surface Area98 Ų
Heavy Atom Count11
Formal Charge0
Complexity124
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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