Chemical Component Summary

Name3'-chloro-4'-(alpha-D-mannopyranosyloxy)biphenyl-4-carbonitrile
Identifiers4-[3-chloranyl-4-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzenecarbonitrile
FormulaC19 H18 Cl N O6
Molecular Weight391.802
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1C#N)c2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChIInChI=1S/C19H18ClNO6/c20-13-7-12(11-3-1-10(8-21)2-4-11)5-6-14(13)26-19-18(25)17(24)16(23)15(9-22)27-19/h1-7,15-19,22-25H,9H2/t15-,16-,17+,18+,19+/m1/s1
InChIKeyNJQGFQIHQPLUNX-GFEQUFNTSA-N

Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count5
Bond Count47
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 90642931
ChEMBL CHEMBL3417101