5'-adenylyl (beta,gamma-methylene)diphosphonate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 53
Total Number of Articles : 57
PubChem 91532
Molecular Formula

C11H18N5O12P3

SMILES

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

InChI

InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1

synonyms
  • AMP-PCP
  • 3469-78-1
  • L-betagamma-meATP
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Properties
Property Value
MW 505.21 g/mol
HBD 7
HBA 16
Rotatable Bond Count 8
Exact Mass 505.01648202 g/mol
Monoisotopic Mass 505.01648202 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 800
xlogp -5.9
Topological Polar Surface Area 270