17042-39-6 , 4-Nitrophenyl 2,3,4,6-tetra-O-acetyl-a-D-galactopyranoside
Cas:17042-39-6
C20H23NO12 / 469.40
MFCD00023841
CAS Number | 17042-39-6 |
Product Name | [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(4-nitrophenoxy)oxan-2-yl]methyl acetate |
IUPAC Name | [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(4-nitrophenoxy)oxan-2-yl]methyl acetate |
Molecular Formula | C₂₀H₂₃NO₁₂ |
Molecular Weight | 469.4 g/mol |
InChI | InChI=1S/C20H23NO12/c1-10(22)28-9-16-17(29-11(2)23)18(30-12(3)24)19(31-13(4)25)20(33-16)32-15-7-5-14(6-8-15)21(26)27/h5-8,16-20H,9H2,1-4H3/t16-,17+,18+,19-,20+/m1/s1 |
InChI Key | BEUISCKWILNFIL-CXQPBAHBSA-N |
SMILES | CC(=O)OCC1C(C(C(C(O1)OC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C |
Synonyms | 4-Nitrophenyl α-D-Galactopyranoside 2,3,4,6-Tetraacetate; NSC 89590 |
Canonical SMILES | CC(=O)OCC1C(C(C(C(O1)OC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C |
Isomeric SMILES | CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C |
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