acetyl adenylate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 5
Total Number of Articles : 5
PubChem 440867
Molecular Formula

C12H16N5O8P

SMILES

CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O

InChI

InChI=1S/C12H16N5O8P/c1-5(18)25-26(21,22)23-2-6-8(19)9(20)12(24-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,19-20H,2H2,1H3,(H,21,22)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1

synonyms
  • Acetyl adenylate
  • Acetyladenylate
  • 13015-87-7
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Properties
Property Value
MW 389.26 g/mol
HBD 4
HBA 12
Rotatable Bond Count 6
Exact Mass 389.07364948 g/mol
Monoisotopic Mass 389.07364948 g/mol
Heavy Atom Count 26
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 584
xlogp -2.9
Topological Polar Surface Area 192