Phosphoadenosine Phosphosulfate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 82
Total Number of Articles : 121
PubChem 10214
Molecular Formula

C10H15N5O13P2S

SMILES

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

InChI

InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1

synonyms
  • phosphoadenosine phosphosulfate
  • 482-67-7
  • 3'-Phosphoadenylyl sulfate
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Properties
Property Value
MW 507.27 g/mol
HBD 6
HBA 17
Rotatable Bond Count 8
Exact Mass 506.98623072 g/mol
Monoisotopic Mass 506.98623072 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 852
xlogp -5
Topological Polar Surface Area 284