Chemical ID: 7462081

c1c(c(nc(=O)n1C2CC(C(O2)CO)O)O)F
Chemical ID:
7462081
Name [?]:
5-fluoro-4-hydroxy-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-pyrimidin-2-one
SMILES [?]:
c1c(c(nc(=O)n1C2CC(C(O2)CO)O)O)F
InChi [?]:
InChI=1/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)
InChi Info:
AuxInfo=1/1/N:9,1,13,2,10,11,8,3,5,17,4,7,14,15,16,6,12/rA:17cCCCNCONCCCCOCOOOF/rB:d1;s2;d3;s4;d5;s1s5;s7;s8;s9;s10;s8s11;s11;s13;s10;s3;s2;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11FN2O5
All Atoms:28
Heavy Atoms:17
Chiral Atoms:3
ZAP Information [?]
Total:4.17451
Area:392.102
Solvation:-5.62804
Coulombic:-86.5701
Bond Count [?]
All:18
Single:15
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:246.193
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:-1.45
LogP (Chemaxon):0.5

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