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(5S)-3,4-bis[(Isopropylidene)oxy])-1-(benzyloxy)-5-deoxy-5-fluoro-5-bromo-2-(formyloxy)-5-iodo-D-Arabinitol

View entire compound with spectra: 1 MS (GC)

(5S)-3,4-bis[(Isopropylidene)oxy])-1-(benzyloxy)-5-deoxy-5-fluoro-5-bromo-2-(formyloxy)-5-iodo-D-Arabinitol
SpectraBase Compound ID 1a5F5BDOdda
InChI InChI=1S/C16H19BrFIO5/c1-15(2)23-13(14(24-15)16(17,18)19)12(22-10-20)9-21-8-11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/t12-,13+,14+,16?/m1/s1
InChIKey KHNBFFKVHQYIPY-JLCDXLGXSA-N
Mol Weight 517.13 g/mol
Molecular Formula C16H19BrFIO5
Exact Mass 515.94446 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5KkJBAWi3ac
Name (5S)-3,4-bis[(Isopropylidene)oxy])-1-(benzyloxy)-5-deoxy-5-fluoro-5-bromo-2-(formyloxy)-5-iodo-D-Arabinitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19BrFIO5
InChI InChI=1S/C16H19BrFIO5/c1-15(2)23-13(14(24-15)16(17,18)19)12(22-10-20)9-21-8-11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/t12-,13+,14+,16?/m1/s1
InChIKey KHNBFFKVHQYIPY-JLCDXLGXSA-N
Molecular Weight 517.130 g/mol
SMILES [C@@]1([C@@](OC(O1)(C)C)([C@](OC=O)(COCc1ccccc1)[H])[H])(C(F)(Br)I)[H]
SPLASH splash10-0006-9020000000-62697ed653bc50f29f38
Source of Spectrum QE-14-6709-S-52
Synonyms Formic acid (R)-2-benzyloxy-1-[(4S,5S)-5-(bromo-fluoro-iodo-methyl)-2,2-dimethyl-[1,3]dioxolan-4-yl]-ethyl ester
Wiley ID 1692231