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159945-02-5 | α-D-Arabinofuranoside, methyl 2-deoxy-2-(trifluoromethyl)-, diacetate (9CI)
CAS No: 159945-02-5 Catalog No: AG001RIO MDL No:
Product Description
Catalog Number:
AG001RIO
Chemical Name:
α-D-Arabinofuranoside, methyl 2-deoxy-2-(trifluoromethyl)-, diacetate (9CI)
CAS Number:
159945-02-5
Molecular Formula:
C11H15F3O6
Molecular Weight:
300.2284
IUPAC Name:
[(2R,3S,4S,5S)-3-acetyloxy-5-methoxy-4-(trifluoromethyl)oxolan-2-yl]methyl acetate
InChI:
InChI=1S/C11H15F3O6/c1-5(15)18-4-7-9(19-6(2)16)8(11(12,13)14)10(17-3)20-7/h7-10H,4H2,1-3H3/t7-,8+,9-,10+/m1/s1
InChI Key:
FLMUHDLCWYXXHC-RGOKHQFPSA-N
SMILES:
CO[C@H]1O[C@@H]([C@H]([C@@H]1C(F)(F)F)OC(=O)C)COC(=O)C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
300.082g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.23g/mol
Monoisotopic Mass:
300.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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