Chemical ID: 4946732

CCCC(=O)OCC1C(C(C(O1)n2cc(c(=O)[nH]c2=O)F)F)O
Chemical ID:
4946732
Name [?]:
[4-fluoro-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl butanoate
SMILES [?]:
CCCC(=O)OCC1C(C(C(O1)n2cc(c(=O)[nH]c2=O)F)F)O
InChi [?]:
InChI=1/C13H16F2N2O6/c1-2-3-8(18)22-5-7-10(19)9(15)12(23-7)17-4-6(14)11(20)16-13(17)21/h4,7,9-10,12,19H,2-3,5H2,1H3,(H,16,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,3,14,7,15,8,4,10,9,16,11,19,21,22,18,13,5,23,17,20,6,12/rA:23cCCCCOOCCCCCONCCCONCOFFO/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s8s11;s11;s13;d14;s15;d16;s16;s13s18;d19;s15;s10;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16F2N2O6
All Atoms:23
Heavy Atoms:23
Chiral Atoms:4
ZAP Information [?]
Total:3.00605
Area:509.985
Solvation:-9.74359
Coulombic:-85.8065
Bond Count [?]
All:24
Single:20
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:334.273
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:-0.16
LogP (Chemaxon):0.77

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Descriptor Annotations

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