5,6-Dihydroxy-5,6-Dihydrothymidine

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Formula C10H16N2O7
IUPAC Name (5s,6s)-5,6-dihydroxy-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-hexahydropyrimidine-2,4-dione
Molecular Mass 276.243 g·mol−1
Heat of Formation -1335.9 ± 16.7 kJ·mol−1
Dipole Moment 1.50 ± 1.08 D
Volume 301.11 Å 3
Surface Area 256.64 Å 2
HOMO Energy -10.39 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,6s)-5,6-dihydroxy-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-methylhexahydropyrimidine-2,4-dione
  • (5s,6s)-5,6-dihydroxy-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-hexahydropyrimidine-2,4-dione
  • (5s,6s)-5,6-dihydroxy-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-5,6-dihydrouracil
InChIKey RKEITGVZZHXKON-NLFXGDPDSA-N
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