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Home > Bromides > 1233335-84-6
1233335-84-6 | β-D-erythro-Pentofuranosyl bromide, 2-deoxy-2-fluoro-2-methyl-, 3,5-dibenzoate, (2R)-
CAS No: 1233335-84-6 Catalog No: AG000KDC MDL No:
Product Description
Catalog Number:
AG000KDC
Chemical Name:
β-D-erythro-Pentofuranosyl bromide, 2-deoxy-2-fluoro-2-methyl-, 3,5-dibenzoate, (2R)-
CAS Number:
1233335-84-6
Molecular Formula:
C20H18BrFO5
Molecular Weight:
437.2563
IUPAC Name:
[(2R,3R,4R,5S)-3-benzoyloxy-5-bromo-4-fluoro-4-methyloxolan-2-yl]methyl benzoate
InChI:
InChI=1S/C20H18BrFO5/c1-20(22)16(27-18(24)14-10-6-3-7-11-14)15(26-19(20)21)12-25-17(23)13-8-4-2-5-9-13/h2-11,15-16,19H,12H2,1H3/t15-,16-,19-,20-/m1/s1
InChI Key:
BXKUNDXPWMNAMP-XNFNUYLZSA-N
SMILES:
O=C(c1ccccc1)OC[C@H]1O[C@H]([C@]([C@@H]1OC(=O)c1ccccc1)(C)F)Br
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
436.032g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
437.261g/mol
Monoisotopic Mass:
436.032g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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