7-(deoxyadenosin-N(6)-yl)aristolactam I

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 3
Total Number of Articles : 4
PubChem 124428
Molecular Formula

C27H22N6O7

SMILES

COC1=CC=CC2=C1C(=NC3=C4C(=NC=N3)N(C=N4)C5CC(C(O5)CO)O)C6=C7C2=C8C(=CC7=C(N6)O)OCO8

InChI

InChI=1S/C27H22N6O7/c1-37-14-4-2-3-11-18(14)21(22-19-12(27(36)32-22)5-15-24(20(11)19)39-10-38-15)31-25-23-26(29-8-28-25)33(9-30-23)17-6-13(35)16(7-34)40-17/h2-5,8-9,13,16-17,32,34-36H,6-7,10H2,1H3

synonyms
  • dA-Aai
  • 7-(Deoxyadenosin-N(6)-yl)aristolactam I
  • 127191-86-0
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Properties
Property Value
MW 542.5 g/mol
HBD 4
HBA 11
Rotatable Bond Count 4
Exact Mass 542.15499706 g/mol
Monoisotopic Mass 542.15499706 g/mol
Heavy Atom Count 40
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 993
xlogp 2.9
Topological Polar Surface Area 169