Chemical ID: 6045843

C1C(C(OC1n2c3c(c(=O)[nH]c(n3)N)nc2Br)CO)O
Chemical ID:
6045843
Name [?]:
2-amino-8-bromo-9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-6-one
SMILES [?]:
C1C(C(OC1n2c3c(c(=O)[nH]c(n3)N)nc2Br)CO)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C10H12BrN5O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:3
ZAP Information [?]
Total:5.79265
Area:452.195
Solvation:-5.51223
Coulombic:-96.9394
Bond Count [?]
All:22
Single:18
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:346.138
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:-0.86
LogP (Chemaxon):0.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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