Chemical ID: 3965955

CCNC(=O)C1C(C(C(O1)n2cnc3c2nc(nc3N)NCCc4ccc(cc4)CCC(=O)O)O)O
Chemical ID:
3965955
Name [?]:
3-[4-[2-[6-amino-9-[5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-purin-2-yl]aminoethyl]phenyl]propanoic acid
SMILES [?]:
CCNC(=O)C1C(C(C(O1)n2cnc3c2nc(nc3N)NCCc4ccc(cc4)CCC(=O)O)O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H29N7O6
All Atoms:36
Heavy Atoms:36
Chiral Atoms:4
ZAP Information [?]
Total:11.7663
Area:774.835
Solvation:-7.6046
Coulombic:-142.267
Bond Count [?]
All:39
Single:30
Double:9
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:499.52
H-Bond Donors:7
H-Bond Acceptors:9
XLogP:0.58
LogP (Chemaxon):-1.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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