5-(5-Chloro-2-Thienyl)-1-(2-Deoxypentofuranosyl)-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C13H13ClN2O5S++
IUPAC Name 5-(5-chloro-2-thienyl)-1-[(2s,4r,5s)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Molecular Mass 344.771 g·mol−1
Heat of Formation -762.3 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 360.26 Å 3
Surface Area 307.04 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
InChIKey RQZRQHNKLHIOQI-FYBVGQRMSA-N
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Elements C Cl H O N S