rifamycin S

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 13
Total Number of Articles : 19
PubChem 6436726
Molecular Formula

C37H45NO12

SMILES

C[C@H]1/C=C/C=C(\C(=O)NC2=CC(=O)C3=C(C2=O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)/C

InChI

InChI=1S/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1

synonyms
  • Rifamycin S
  • 13553-79-2
  • Rifomycin S
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Properties
Property Value
MW 695.8 g/mol
HBD 4
HBA 12
Rotatable Bond Count 3
Exact Mass 695.29417587 g/mol
Monoisotopic Mass 695.29417587 g/mol
Heavy Atom Count 50
Isotope Atom Count 0
Atom Stereo Count 9
Covalent Unit Count 1
Complexity 1480
xlogp 4.1
Topological Polar Surface Area 195