2-Methoxy-4-(2'-nitrovinyl)phenyl-2-acetamido-2-deoxy-beta-glucopyranoside

2-Methoxy-4-(2'-nitrovinyl)phenyl-2-acetamido-2-deoxy-beta-glucopyranoside CAS Number 70622-74-1 Product Name Mnp-glcnac IUPAC Name N-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxy-5-[(E)-2-nitroethenyl]-2-phenoxyoxan-3-yl]acetamide Molecular Formula C17H22N2O9 Molecular Weight 398.4 g/mol InChI InChI=1S/C17H22N2O9/c1-11(21)18-17(26-2)14(22)16(23,8-9-19(24)25)13(10-20)28-15(17)27-12-6-4-3-5-7-12/h3-9,13-15,20,22-23H,10H2,1-2H3,(H,18,21)/b9-8+/t13-,14+,15-,16-,17+/m1/s1 InChI Key YHWRKXMTISIYOF-GVVSDTBTSA-N SMILES CC(=O)NC1(C(C(C(OC1OC2=CC=CC=C2)CO)(C=C[N+](=O)[O-])O)O)OC Synonyms 2-methoxy-4-(2'-nitrovinyl)phenyl-2-acetamido-2-deoxy-beta-glucopyranoside, MNP-GlcNAc Canonical SMILES CC(=O)NC1(C(C(C(OC1OC2=CC=CC=C2)CO)(C=C[N+](=O)[O-])O)O)OC Isomeric SMILES CC(=O)N[C@@]1([C@H]([C@]([C@H](O[C@H]1OC2=CC=CC=C2)CO)(/C=C/[N+](=O)[O-])O)O)OC COA: Name : 2-Methoxy-4-(2'-nitrovinyl)phenyl-2-acetamido-2-deoxy-beta-glucopyranoside CAS: 70622-74-1 M .F. : C 17 H 22 N 2 O 9 M .W. : 398.4 Items Standards Results Appearance Crystal powder Complies Solubility Soluble inDMSO and DMF, insoluble C 2 H 5 OH Complies Identification IR and HPLC Complies Melting point 180 ? ~ 200 ?C 190 ? ~200 ? Specific rotation ( [?] D , c =1 inDMSO) -8 o ~ -9 o -8.5 o Total impurity Max. 2% Complies Heavy metal Max. 20ppm Complies Residue on ignition Max. 0.5% 0.1% TLC One spot One spot Assay by HPLC Min. 98% 98.2%