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Chemical ID: 3966476
Chemical ID:
3966476
Name [?]:
5-(2-bromovinyl)-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-pyrimidine-2,4-dione
SMILES [?]:
c1c(c(=O)[nH]c(=O)n1C2CC(C(O2)CO)O)C=CBr
InChi [?]:
InChI=1/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)
InChi Info:
AuxInfo=1/1/N:17,18,10,1,14,2,11,12,9,3,6,19,5,8,15,16,4,7,13/rA:19cCCCONCONCCCCOCOOCCBr/rB:d1;s2;d3;s3;s5;d6;s1s6;s8;s9;s10;s11;s9s12;s12;s14;s11;s2;w17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13BrN2O5 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 6.06997 |
Area: | 447.243 |
Solvation: | -5.1111 |
Coulombic: | -80.1559 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 333.135 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | -0.2 |
LogP (Chemaxon): | 0.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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