| CAS Number | 87764-46-3 |
| Catalog Number | AG004IDD(AGN-PC-0OL952) |
| Chemical Name | D-Mannose,3-deoxy-3-fluoro- |
| IUPAC Name | (2R,3S,4R,5R)-3-fluoro-2,4,5,6-tetrahydroxyhexanal |
| 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 |
| InChI Key | RMHCJIQOFXULDL-KVTDHHQDSA-N |
| MDL Number | MFCD00077530 |
| Molecular Formula | C6H11FO5 |
| Molecular Weight | 182.1469 |
| SMILES | OC[C@H]([C@H]([C@@H]([C@@H](C=O)O)F)O)O |
| Synonyms | 3-deoxy-3-fluoro-D-mannose,
3-deoxy-3-fluoromannose,
3-Deoxy-3-fluoro-D-mannose,
87764-46-3,
D-Mannose,3-deoxy-3-fluoro-,
(2R,3S,4R,5R)-3-fluoro-2,4,5,6-tetrahydroxyhexanal,
CTK5F8978,
ZINC2555186,
ZX-AP012127,
MFCD00077530,
PC7312,
AKOS006239989,
FT-0615586,
W-203997,
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.147g/mol |
| Monoisotopic Mass | 182.059g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 98A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number