diadenosine tetraphosphate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 56
Total Number of Articles : 70
PubChem 21706
Molecular Formula

C20H28N10O19P4

SMILES

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N

InChI

InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1

synonyms
  • Diadenosine tetraphosphate
  • AppppA
  • 5542-28-9
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Properties
Property Value
MW 836.4 g/mol
HBD 10
HBA 27
Rotatable Bond Count 14
Exact Mass 836.04826669 g/mol
Monoisotopic Mass 836.04826669 g/mol
Heavy Atom Count 53
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 1410
xlogp -8.3
Topological Polar Surface Area 434