roseoflavin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 4
Total Number of Articles : 2
PubChem 49867612
Molecular Formula

C18H23N5O6

SMILES

CC1=CC2=C(C=C1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O

InChI

InChI=1S/C18H23N5O6/c1-8-4-9-11(5-10(8)22(2)3)23(6-12(25)15(27)13(26)7-24)16-14(19-9)17(28)21-18(29)20-16/h4-5,12-13,15,24-27H,6-7H2,1-3H3,(H,21,28,29)/t12-,13+,15-/m0/s1

synonyms
  • Roseoflavin
  • Roseoflavine
  • 51093-55-1
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Properties
Property Value
MW 405.4 g/mol
HBD 5
HBA 8
Rotatable Bond Count 6
Exact Mass 405.16483347 g/mol
Monoisotopic Mass 405.16483347 g/mol
Heavy Atom Count 29
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 726
xlogp -1.7
Topological Polar Surface Area 158