Catalog Number:
AG001RV2
Chemical Name:
X-Neu5Ac
CAS Number:
160369-85-7
Molecular Formula:
C19H21BrClN2NaO9
Molecular Weight:
559.7248
MDL Number:
MFCD00792680
IUPAC Name:
sodium;(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
InChI:
InChI=1S/C19H22BrClN2O9.Na/c1-7(25)23-15-10(26)4-19(18(29)30,32-17(15)16(28)11(27)6-24)31-12-5-22-9-3-2-8(20)14(21)13(9)12;/h2-3,5,10-11,15-17,22,24,26-28H,4,6H2,1H3,(H,23,25)(H,29,30);/q;+1/p-1/t10-,11+,15+,16+,17+,19+;/m0./s1
InChI Key:
MNWWXEDVLXNFDD-GNZCRVNMSA-M
SMILES:
OC[C@H]([C@H]([C@@H]1O[C@@](C[C@@H]([C@H]1NC(=O)C)O)(Oc1c[nH]c2c1c(Cl)c(cc2)Br)C(=O)[O-])O)O.[Na+]
