(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-(5-Methyl-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)Tetrahydro-2-Furancarbonitrile

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Formula C11H13N3O6
IUPAC Name (2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-carbonitrile
Molecular Mass 283.237 g·mol−1
Heat of Formation -908.0 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 304.76 Å 3
Surface Area 264.37 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-carbonitrile
  • (2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofurancarbonitrile
  • (2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolane-2-carbonitrile
  • (2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-carbonitrile
  • (2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbonitrile
  • 1-(1'-cyano-beta-d-ribofuranosyl)thymine
  • 1-(1'-cyanoribofuranosyl)thymine
CAS Number(s)
  • 149228-60-4
InChIKey GIMIRPPAFUHVRA-KCGFPETGSA-N
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