5-hydroxymethylflucloxacillin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 2
PubChem 64708
Molecular Formula

C19H17ClFN3O6S

SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)F)CO)C(=O)O)C

InChI

InChI=1S/C19H17ClFN3O6S/c1-19(2)14(18(28)29)24-16(27)13(17(24)31-19)22-15(26)11-9(6-25)30-23-12(11)10-7(20)4-3-5-8(10)21/h3-5,13-14,17,25H,6H2,1-2H3,(H,22,26)(H,28,29)/t13-,14+,17-/m1/s1

synonyms
  • 5-Hydroxymethylflucloxacillin
  • 75524-31-1
  • 6-(((3-(2-Chloro-6-fluorophenyl)-5-(hydroxymethyl)-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid (2S-(2alpha,5alpha,6beta))-
Click to show/hide the synonyms
Properties
Property Value
MW 469.9 g/mol
HBD 3
HBA 9
Rotatable Bond Count 5
Exact Mass 469.0510623 g/mol
Monoisotopic Mass 469.0510623 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 775
xlogp 1.4
Topological Polar Surface Area 158