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Home > Fluorides > 128985-16-0
128985-16-0 | 3,4,5-PIPERIDINETRIOL, 2-(HYDROXYMETHYL)-1-(4,4,4-TRIFLUOROBUTYL)-, (2R,3R,4R,5S)-
CAS No: 128985-16-0 Catalog No: AG000YQX MDL No:
Product Description
Catalog Number:
AG000YQX
Chemical Name:
3,4,5-PIPERIDINETRIOL, 2-(HYDROXYMETHYL)-1-(4,4,4-TRIFLUOROBUTYL)-, (2R,3R,4R,5S)-
CAS Number:
128985-16-0
Molecular Formula:
C10H18F3NO4
Molecular Weight:
273.2494
IUPAC Name:
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(4,4,4-trifluorobutyl)piperidine-3,4,5-triol
InChI:
InChI=1S/C10H18F3NO4/c11-10(12,13)2-1-3-14-4-7(16)9(18)8(17)6(14)5-15/h6-9,15-18H,1-5H2/t6-,7+,8-,9-/m1/s1
InChI Key:
YPBJLHXXZZNYIP-BZNPZCIMSA-N
SMILES:
OC[C@H]1N(CCCC(F)(F)F)C[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
273.119g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
273.252g/mol
Monoisotopic Mass:
273.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Inhibitory effect of novel 1-deoxynojirimycin derivatives on HIV-1 replication. | AIDS (London, England) 19901001 |
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