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Home > Fluorides > 114716-83-5
114716-83-5 | myo-Inositol, 5-deoxy-5-fluoro- (9CI)
CAS No: 114716-83-5 Catalog No: AG000F3O MDL No:
Product Description
Catalog Number:
AG000F3O
Chemical Name:
myo-Inositol, 5-deoxy-5-fluoro- (9CI)
CAS Number:
114716-83-5
Molecular Formula:
C6H11FO5
Molecular Weight:
182.1469
IUPAC Name:
(1R,2S,4R,5S)-6-fluorocyclohexane-1,2,3,4,5-pentol
InChI:
InChI=1S/C6H11FO5/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,8-12H/t1?,2-,3+,4+,5-,6?
InChI Key:
PDTJJYSBSOKEOY-UYSNGIAKSA-N
SMILES:
O[C@@H]1C(O)[C@H](O)[C@H](C([C@H]1O)F)O
Properties
Complexity:
150
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:
5
Isotope Atom Count:
0
Molecular Weight:
182.147g/mol
Monoisotopic Mass:
182.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
Literature
| Title | Journal |
|---|---|
| Synthesis of scyllo-inositol derivatives and their effects on amyloid beta peptide aggregation. | Bioorganic & medicinal chemistry 20080801 |
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