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2-Deoxy-1,3,4,6-tetra-O-acetyl-2-(2-trichloroethyl)-oxycarbonylamino-b-d-glucopyranose

View entire compound with spectra: 2 NMR

2-Deoxy-1,3,4,6-tetra-O-acetyl-2-(2-trichloroethyl)-oxycarbonylamino-b-d-glucopyranose
SpectraBase Compound ID LCgsM85Hbye
InChI InChI=1S/C17H22Cl3NO11/c1-7(22)27-5-11-13(29-8(2)23)14(30-9(3)24)12(15(32-11)31-10(4)25)21-16(26)28-6-17(18,19)20/h11-15H,5-6H2,1-4H3,(H,21,26)/t11-,12-,13+,14+,15+/m0/s1
InChIKey LREZJCUWSKPMMD-VQJWOFKYSA-N
Mol Weight 522.72 g/mol
Molecular Formula C17H22Cl3NO11
Exact Mass 521.025844 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EeDevlvSi1o
Name 2-Deoxy-1,3,4,6-tetra-o-acetyl-2-(2-trichloroethyl)-oxycarbonylamino-B-D-glucopyranose
Comments Computed using HOSE algorithm
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Exact Mass 521.025843621 u
Formula C17H22Cl3NO11
InChI InChI=1S/C17H22Cl3NO11/c1-7(22)27-5-11-13(29-8(2)23)14(30-9(3)24)12(15(32-11)31-10(4)25)21-16(26)28-6-17(18,19)20/h11-15H,5-6H2,1-4H3,(H,21,26)/t11-,12-,13+,14+,15+/m0/s1
InChIKey LREZJCUWSKPMMD-VQJWOFKYSA-N
Molecular Weight 522.718 g/mol
SMILES N([C@@]1([C@@](O[C@]([C@]([C@@]1(OC(=O)C)[H])(OC(C)=O)[H])(COC(=O)C)[H])(OC(C)=O)[H])[H])C(OCC(Cl)(Cl)Cl)=O