Chemical ID: 3966476

c1c(c(=O)[nH]c(=O)n1C2CC(C(O2)CO)O)C=CBr
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

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