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Chemical ID: 3966493
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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