5-Chloro-2'-Deoxy-5-Ethyl-6-Methoxy-5,6-Dihydrouridine

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Properties Simple | Detailed

Formula C12H19ClN2O6
IUPAC Name (5r,6r)-5-chloro-5-ethyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methoxy-hexahydropyrimidine-2,4-dione
Molecular Mass 322.742 g·mol−1
Heat of Formation -1218.5 ± 16.7 kJ·mol−1
Dipole Moment 2.11 ± 1.08 D
Volume 353.33 Å 3
Surface Area 279.25 Å 2
HOMO Energy -10.25 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6r)-5-chloro-5-ethyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-6-methoxyhexahydropyrimidine-2,4-dione
  • (5r,6r)-5-chloro-5-ethyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methoxy-hexahydropyrimidine-2,4-dione
  • (5r,6r)-5-chloro-5-ethyl-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-6-methoxy-5,6-dihydrouracil
  • (5r,6r)-cmedu
  • 2,4(1h,3h)-pyrimidinedione, 5-chloro-1-(2-deoxy-b-d-erythro-pentofuranosyl)-5-ethyldihydro-6-methoxy-, (5r,6r)-
  • 5-chloro-5-ethyl-6-methoxy-5,6-dihydro-2'-deoxyuridine
  • cmedu
  • uridine, 5-chloro-2'-deoxy-5-ethyl-5,6-dihydro-6-methoxy-, (5r,6r)-
CAS Number(s)
  • 155892-41-4
InChIKey XLVNIDTUOMZHIH-GFIAMVSTSA-N
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Elements H C N O Cl