Product Identifiers
Catalog # | NX72185 |
PubChem CID | 71307250 |
Chemical Name | 5-Bromo-4-chloro-3-indolyl alpha-D-N-acetylneuraminic acid methyl ester |
IUPAC Name | methyl (2S,4S,5R,6R)-5-acetamido-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate |
Synonym | X-NANA.Me |
InChI | InChI=1S/C20H24BrClN2O9/c1-8(26)24-16-11(27)5-20(19(30)31-2,33-18(16)17(29)12(28)7-25)32-13-6-23-10-4-3-9(21)15(22)14(10)13/h3-4,6,11-12,16-18,23,25,27-29H,5,7H2,1-2H3,(H,24,26)/t11-,12+,16+,17+,18+,20+/m0/s1 |
InChIKey | VATTYSQGTFSYRU-PSTHAIFASA-N |
SMILES | COC(=O)[C@]1(C[C@H](O)[C@@H](NC(=O)C)[C@@H](O1)[C@H](O)[C@H](O)CO)Oc2c[nH]c3ccc(Br)c(Cl)c23 |
MDL Number | MFCD03701146 |
Specification
MW | 551.8 |
MF | C20H24BrClN2O9 |
Manufacturer | Apollo Scientific |
Country of Origin | United Kingdom |