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4-Deoxy-D-glucose

CAT: 0024-sc-220937Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-220937Size:25 mg
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CAS Number
28434-38-0

Chemical Information

GlyTouCan:G60308GA
CAS Number28434-38-0
PubChem CID11593486
IUPAC Name(3R,4S,6S)-6-(hydroxymethyl)oxane-2,3,4-triol
Molecular FormulaC6H12O5
Molecular Weight164.16
XLogP-2.2
Topological Polar Surface Area90.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity128
SMILES
C1[C@H](OC([C@@H]([C@H]1O)O)O)CO
InChI
InChI=1S/C6H12O5/c7-2-3-1-4(8)5(9)6(10)11-3/h3-10H,1-2H2/t3-,4-,5+,6?/m0/s1
InChIKey
HDEMQQHXNOJATE-NSHGFSBMSA-N
Chemical Structure
2D Structure
2D structure of GlyTouCan:G60308GA
CAS: 28434-38-0
CID: 11593486
Formula: C6H12O5
MW: 164.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight164.16
XLogP3-2.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass164.06847348
Monoisotopic Mass164.06847348
Topological Polar Surface Area90.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity128
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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