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2-Keto-3-Deoxygluconate

CAT: 1299-RM-G122107-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-G122107-01Size:10 mg
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CAS Number
17510-99-5
Synonyms
(4S,5R) -4,5,6-trihydroxy-2-oxohexanoic acid
Molecular Formula
C6H10O6
Molecular Weight
178.14
Target Alternative Name
Glucose
Product Name Synonym
(4S,5R) -4,5,6-trihydroxy-2-oxohexanoic acid

Chemical Information

2-Keto-3-Deoxygluconate

2-keto-3-deoxy-L-galactonic acid is a ketoaldonic acid that is the 2-dehydro-3-deoxy derivative of L-galactonic acid. It is a ketoaldonic acid and a hexonic acid. It is a conjugate acid of a 2-keto-3-deoxy-L-galactonate. It is an enantiomer of a 2-dehydro-3-deoxy-D-galactonic acid.

CAS Number17510-99-5
PubChem CID11309850
IUPAC Name(4S,5S)-4,5,6-trihydroxy-2-oxohexanoic acid
Molecular FormulaC6H10O6
Molecular Weight178.14
XLogP-2.3
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count12
Formal Charge0
Complexity177
SMILES
C([C@@H]([C@H](CO)O)O)C(=O)C(=O)O
InChI
InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5-/m0/s1
InChIKey
WPAMZTWLKIDIOP-UCORVYFPSA-N
Chemical Structure
2D Structure
2D structure of 2-Keto-3-Deoxygluconate
CAS: 17510-99-5
CID: 11309850
Formula: C6H10O6
MW: 178.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight178.14
XLogP3-2.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass178.04773803
Monoisotopic Mass178.04773803
Topological Polar Surface Area115 Ų
Heavy Atom Count12
Formal Charge0
Complexity177
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