8-bromoguanosino-3',5'-cyclic monophosphorothioate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 173
Total Number of Articles : 169
PubChem 3035839
Molecular Formula

C10H11BrN5O6PS

SMILES

C1=C2C(=NC(=N1)N)N(C(=N2)Br)[C@H]3C(=C([C@H](O3)COP(=S)(O)O)O)O

InChI

InChI=1S/C10H11BrN5O6PS/c11-9-14-3-1-13-10(12)15-7(3)16(9)8-6(18)5(17)4(22-8)2-21-23(19,20)24/h1,4,8,17-18H,2H2,(H2,12,13,15)(H2,19,20,24)/t4-,8-/m1/s1

synonyms
  • 8-Br-Cgmps
  • (2R,5R)-2-(2-amino-8-bromopurin-9-yl)-5-(dihydroxyphosphinothioyloxymethyl)-2,5-dihydrofuran-3,4-diol
  • Rp-8-BrcGMPS
Click to show/hide the synonyms
Properties
Property Value
MW 440.17 g/mol
HBD 5
HBA 11
Rotatable Bond Count 4
Exact Mass 438.93510 g/mol
Monoisotopic Mass 438.93510 g/mol
Heavy Atom Count 24
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 580
xlogp -0.2
Topological Polar Surface Area 201