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Chemical ID: 7462081
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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