197895-54-8, Tri-O-acetyl-b-D-glucuronide methyl ester trichloroacetimidate, CAS:197895-54-8

197895-54-8, Tri-O-acetyl-b-D-glucuronide methyl ester trichloroacetimidate,
CAS:197895-54-8
C15H18Cl3NO10 / 478.66

2,3,4-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 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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