Formula |
C12H15BrN2O5 |
IUPAC Name |
1-[(3s,4r,5s)-4,5-bis(hydroxymethyl)tetrahydrofuran-3-yl]-5-[(e)-2-bromovinyl]pyrimidine-2,4-dione |
Molecular Mass |
347.162 g·mol−1 |
Heat of Formation |
-805.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.02 ± 1.08 D |
Volume |
339.9 Å 3 |
Surface Area |
298.21 Å 2 |
HOMO Energy |
-9.39 ± 0.55 eV |
LUMO Energy |
1.71 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- [3s-(3.alpha(e).,4.beta.,5.alpha.)]-5-(2-bromoethenyl)-1-[tetrahydro-4,5-bis(hydroxymethyl)-3-furanyl]-2,4(1h,3h)-pyrimidinedione
- bms-181,165
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InChIKey |
CKLBQOOFBGLDMP-HFVMFMDWSA-N |
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Links |
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Downloads |
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Elements |
H
C
O
Br
N
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