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2-Keto-D-Glucose

CAT: 0024-sc-220745Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-220745Size:100 mg
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CAS Number
1854-25-7

Chemical Information

D-Glucosone

D-glucosone is a ketoaldohexose.

CAS Number1854-25-7
PubChem CID159630
IUPAC Name(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanal
Molecular FormulaC6H10O6
Molecular Weight178.14
XLogP-2.9
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count12
Formal Charge0
Complexity167
SMILES
C([C@H]([C@H]([C@@H](C(=O)C=O)O)O)O)O
InChI
InChI=1S/C6H10O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,4-6,8,10-12H,2H2/t4-,5-,6-/m1/s1
InChIKey
DCNMIDLYWOTSGK-HSUXUTPPSA-N
Chemical Structure
2D Structure
2D structure of D-Glucosone
CAS: 1854-25-7
CID: 159630
Formula: C6H10O6
MW: 178.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight178.14
XLogP3-2.9
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
Complexity167
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes