1,4-Anhydro-2-{5-[(E)-2-Bromovinyl]-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl}-2,3-Dideoxy-3-(Hydroxymethyl)-D-Arabinitol

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Properties Simple | Detailed

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
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
InChIKey CKLBQOOFBGLDMP-HFVMFMDWSA-N
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Elements H C O Br N