6-thioguanosine 5'-diphosphate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 23
Total Number of Articles : 24
PubChem 3035439
Molecular Formula

C10H15N5O10P2S

SMILES

C1=NC2=C(N1C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=S)N

InChI

InChI=1S/C10H15N5O10P2S/c11-10-13-7-4(8(28)14-10)12-2-15(7)9-6(17)5(16)3(24-9)1-23-27(21,22)25-26(18,19)20/h2-3,5-6,9,16-17H,1H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,28)/t3-,5-,6-,9?/m1/s1

synonyms
  • 6-thioguanosine 5'-diphosphate
  • 16541-19-8
  • [(2R,3S,4R)-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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Properties
Property Value
MW 459.27 g/mol
HBD 7
HBA 12
Rotatable Bond Count 6
Exact Mass 459.00148686 g/mol
Monoisotopic Mass 459.00148686 g/mol
Heavy Atom Count 28
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 765
xlogp -3.9
Topological Polar Surface Area 263