8-Bromoadenosine 5'-monophosphate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 28
Total Number of Articles : 25
PubChem 168120
Molecular Formula

C10H13BrN5O7P

SMILES

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

InChI

InChI=1S/C10H13BrN5O7P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,13,14)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1

synonyms
  • 8-BROMO-ADENOSINE-5'-MONOPHOSPHATE
  • {[(2R,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
  • (((2R,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)phosphonic acid
Click to show/hide the synonyms
Properties
Property Value
MW 426.12 g/mol
HBD 5
HBA 11
Rotatable Bond Count 4
Exact Mass 424.97360 g/mol
Monoisotopic Mass 424.97360 g/mol
Heavy Atom Count 24
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 514
xlogp -2.5
Topological Polar Surface Area 186