P(1),P(5)-di(adenosine-5'-)pentaphosphate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 22
Total Number of Articles : 22
PubChem 45479437
Molecular Formula

C20H24N10O22P5-5

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-])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/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)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)(H,43,44)(H2,21,23,25)(H2,22,24,26)/p-5/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1

synonyms
  • P(1),P(5)-bis(5'-adenosyl) pentaphosphate(5-)
  • Bis(5'-adenosyl) pentaphosphate
  • P1,P5-Bis(5'-adenosyl) pentaphosphate
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Properties
Property Value
MW 911.3 g/mol
HBD 6
HBA 30
Rotatable Bond Count 16
Exact Mass 910.97547242 g/mol
Monoisotopic Mass 910.97547242 g/mol
Heavy Atom Count 57
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 1540
xlogp -9.8
Topological Polar Surface Area 495