Chemical ID: 4946595

CCCC(=O)OCC1C(CC(O1)n2cc(c(=O)[nH]c2=O)F)O
Chemical ID:
4946595
Name [?]:
[5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl butanoate
SMILES [?]:
CCCC(=O)OCC1C(CC(O1)n2cc(c(=O)[nH]c2=O)F)O
InChi [?]:
InChI=1/C13H17FN2O6/c1-2-3-11(18)21-6-9-8(17)4-10(22-9)16-5-7(14)12(19)15-13(16)20/h5,8-10,17H,2-4,6H2,1H3,(H,15,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,10,14,7,15,9,8,11,4,16,19,21,18,13,22,5,17,20,6,12/rA:22cCCCCOOCCCCCONCCCONCOFO/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s8s11;s11;s13;d14;s15;d16;s16;s13s18;d19;s15;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17FN2O6
All Atoms:22
Heavy Atoms:22
Chiral Atoms:3
ZAP Information [?]
Total:5.16561
Area:504.956
Solvation:-7.45828
Coulombic:-82.6069
Bond Count [?]
All:23
Single:19
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:316.282
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:-0.3
LogP (Chemaxon):0.78

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Descriptor Annotations

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