Chemical ID: 4562115

COc1cc(ccc1O)C=NNc2nc3c(ncnc3n2C4C(C(C(O4)CO)O)O)N
Chemical ID:
4562115
Name [?]:
2-[6-amino-8-[(4-hydroxy-3-methoxy-phenyl)methyleneaminoamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
SMILES [?]:
COc1cc(ccc1O)C=NNc2nc3c(ncnc3n2C4C(C(C(O4)CO)O)O)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H21N7O6
All Atoms:31
Heavy Atoms:31
Chiral Atoms:4
ZAP Information [?]
Total:5.41378
Area:655.083
Solvation:-10.9633
Coulombic:-130.324
Bond Count [?]
All:34
Single:26
Double:8
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:431.403
H-Bond Donors:7
H-Bond Acceptors:9
XLogP:0.69
LogP (Chemaxon):1.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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