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3-Deoxy-3-fluoro-D-mannose

CAT: 0862-GC8304-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0862-GC8304-25mgSize:25 mg
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CAS Number
87764-46-3
Molecular Weight
182.1
Storage Conditions
-20°C
Hazardous Class
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Chemical Information

3-Deoxy-3-fluoro-D-mannose
CAS Number87764-46-3
PubChem CID55220202
IUPAC Name(2R,3S,4R,5R)-3-fluoro-2,4,5,6-tetrahydroxyhexanal
Molecular FormulaC6H11FO5
Molecular Weight182.15
XLogP-2.4
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count12
Formal Charge0
Complexity142
SMILES
C([C@H]([C@H]([C@@H]([C@@H](C=O)O)F)O)O)O
InChI
InChI=1S/C6H11FO5/c7-5(3(10)1-8)6(12)4(11)2-9/h1,3-6,9-12H,2H2/t3-,4-,5-,6-/m1/s1
InChIKey
RMHCJIQOFXULDL-KVTDHHQDSA-N
Chemical Structure
2D Structure
2D structure of 3-Deoxy-3-fluoro-D-mannose
CAS: 87764-46-3
CID: 55220202
Formula: C6H11FO5
MW: 182.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight182.15
XLogP3-2.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass182.05905161
Monoisotopic Mass182.05905161
Topological Polar Surface Area98 Ų
Heavy Atom Count12
Formal Charge0
Complexity142
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