2',3'-dialdehyde ATP

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 50
Total Number of Articles : 41
PubChem 5486828
Molecular Formula

C10H14N5O13P3

SMILES

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

InChI

InChI=1S/C10H14N5O13P3/c11-9-8-10(13-4-12-9)15(5-14-8)7(2-17)26-6(1-16)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h1-2,4-7H,3H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t6-,7+/m0/s1

synonyms
  • 2',3'-dialdehyde ATP
  • Oxidised ATP
  • Dial-ATP
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Properties
Property Value
MW 505.17 g/mol
HBD 5
HBA 17
Rotatable Bond Count 12
Exact Mass 504.98009651 g/mol
Monoisotopic Mass 504.98009651 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 796
xlogp -5.1
Topological Polar Surface Area 273