Chemical ID: 3966493

CCc1cn(c(=O)nc1O)C2C(C(CO2)O)CO
Chemical ID:
3966493
Name [?]:
5-ethyl-4-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)tetrahydrofuran-2-yl]-pyrimidin-2-one
SMILES [?]:
CCc1cn(c(=O)nc1O)C2C(C(CO2)O)CO
InChi [?]:
InChI=1/C11H16N2O5/c1-2-6-3-13(11(17)12-9(6)16)10-7(4-14)8(15)5-18-10/h3,7-8,10,14-15H,2,4-5H2,1H3,(H,12,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,4,17,14,3,12,13,9,11,6,8,5,18,16,10,7,15/rA:18cCCCCNCONCOCCCCOOCO/rB:s1;s2;d3;s4;s5;d6;s6;s3d8;s9;s5;s11;s12;s13;s11s14;s13;s12;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16N2O5
All Atoms:18
Heavy Atoms:18
Chiral Atoms:3
ZAP Information [?]
Total:5.62127
Area:425.367
Solvation:-5.0129
Coulombic:-82.0734
Bond Count [?]
All:19
Single:16
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:256.255
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:-1.09
LogP (Chemaxon):1.0

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Descriptor Annotations

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