197895-54-8, Tri-O-acetyl-b-D-glucuronide methyl ester trichloroacetimidate,
三乙酰基-b-D-葡萄糖醛酸甲酯三氯乙酰亚胺酯,
CAS:197895-54-8
C15H18Cl3NO10 / 478.66
三乙酰基-b-D-葡萄糖醛酸甲酯三氯乙酰亚胺酯,
CAS Number | 197895-54-8 |
Product Name | methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxane-2-carboxylate |
IUPAC Name | methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxane-2-carboxylate |
Molecular Formula | C15H18Cl3NO10 |
Molecular Weight | 478.66 g/mol |
InChI | InChI=1S/C15H18Cl3NO10/c1-5(20)25-8-9(26-6(2)21)11(27-7(3)22)13(28-10(8)12(23)24-4)29-14(19)15(16,17)18/h8-11,13,19H,1-4H3/t8-,9-,10-,11+,13-/m0/s1 |
InChI Key | KWNIVSQDHXVNAL-OBBGECFZSA-N |
SMILES | CC(=O)OC1C(C(OC(C1OC(=O)C)OC(=N)C(Cl)(Cl)Cl)C(=O)OC)OC(=O)C |
Synonyms | Methyl-(2,3,4-tri-O-acetyl-β-D-glucopyranosyl Trichloroacetimidate)uronate |
Canonical SMILES | CC(=O)OC1C(C(OC(C1OC(=O)C)OC(=N)C(Cl)(Cl)Cl)C(=O)OC)OC(=O)C |
Isomeric SMILES | CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC(=N)C(Cl)(Cl)Cl)C(=O)OC)OC(=O)C |
CAS No: 197895-54-8 Synonyms: Methyl-(2,3,4-tri-O-acetyl-b-D-glucopyranosyl trichloroacetimidate)uronate Chemical Formula: C15H18Cl3NO10 Molecular Weight: 478.66 |
References: 1. Burnett, D., et al., Bioorg. Med. Chem. Lett., 12, 311 (2002) |
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