BzATP

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 175
Total Number of Articles : 234
PubChem 115205
Molecular Formula

C24H24N5O15P3

SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C24H24N5O15P3/c25-21-17-22(27-11-26-21)29(12-28-17)23-19(31)20(16(41-23)10-40-46(36,37)44-47(38,39)43-45(33,34)35)42-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H,38,39)(H2,25,26,27)(H2,33,34,35)/t16-,19-,20-,23-/m1/s1

synonyms
  • BzATP
  • 81790-82-1
  • 3'-O-(4-Benzoyl)benzoyl ATP
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Properties
Property Value
MW 715.4 g/mol
HBD 6
HBA 19
Rotatable Bond Count 13
Exact Mass 715.04817607 g/mol
Monoisotopic Mass 715.04817607 g/mol
Heavy Atom Count 47
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 1280
xlogp -2.1
Topological Polar Surface Area 302