adenosine 3'-phosphate-5'-phosphate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 52
Total Number of Articles : 70
PubChem 159296
Molecular Formula

C10H15N5O10P2

SMILES

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

InChI

InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1

synonyms
  • Adenosine 3',5'-diphosphate
  • adenosine 3',5'-bisphosphate
  • 1053-73-2
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Properties
Property Value
MW 427.20 g/mol
HBD 6
HBA 14
Rotatable Bond Count 6
Exact Mass 427.02941569 g/mol
Monoisotopic Mass 427.02941569 g/mol
Heavy Atom Count 27
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 631
xlogp -4.6
Topological Polar Surface Area 233