Chemical ID: 4574134

c1ccc(cc1)C=CCSc2nc3c(=O)[nH]c(nc3n2C4C(C(C(O4)CO)O)O)N
Chemical ID:
4574134
Name [?]:
2-amino-8-cinnamylsulfanyl-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-6-one
SMILES [?]:
c1ccc(cc1)C=CCSc2nc3c(=O)[nH]c(nc3n2C4C(C(C(O4)CO)O)O)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H21N5O5S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:4
ZAP Information [?]
Total:8.65694
Area:651.831
Solvation:-7.63883
Coulombic:-116.957
Bond Count [?]
All:33
Single:25
Double:8
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:431.467
H-Bond Donors:5
H-Bond Acceptors:6
XLogP:0.31
LogP (Chemaxon):2.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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