THOS Streptonigrin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 39
Total Number of Articles : 89
PubChem 247673
Molecular Formula

C28H27N5O7

SMILES

CC1=C(C(=C(N=C1C(=O)O)C2=NC3=C(C=C2)C(=C(C4=NC(N=C34)(C)C)OC)O)N)C5=C(C(=C(C=C5)OC)OC)O

InChI

InChI=1S/C28H27N5O7/c1-11-16(12-8-10-15(38-4)25(39-5)23(12)34)17(29)20(31-18(11)27(36)37)14-9-7-13-19(30-14)21-22(26(40-6)24(13)35)33-28(2,3)32-21/h7-10,34-35H,29H2,1-6H3,(H,36,37)

synonyms
  • THOS Streptonigrin
  • IPAS
  • Isopropylideneazastreptonigrin
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Properties
Property Value
MW 545.5 g/mol
HBD 4
HBA 12
Rotatable Bond Count 6
Exact Mass 545.19104822 g/mol
Monoisotopic Mass 545.19104822 g/mol
Heavy Atom Count 40
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 1090
xlogp 2.1
Topological Polar Surface Area 182