5-Nitro-1-β-D-Arabinofuranosyluracil

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Properties Simple | Detailed

Formula C9H11N3O8
IUPAC Name 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-nitro-pyrimidine-2,4-dione
Molecular Mass 289.199 g·mol−1
Heat of Formation -1035.3 ± 16.7 kJ·mol−1
Dipole Moment 7.59 ± 1.08 D
Volume 291.51 Å 3
Surface Area 256.99 Å 2
HOMO Energy -10.60 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-nitropyrimidine-2,4-dione
  • 1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-nitro-pyrimidine-2,4-dione
  • 1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-nitro-pyrimidine-2,4-dione
  • 1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-5-nitro-pyrimidine-2,4-quinone
InChIKey QSHRORQBJAVCRL-MNCSTQPFSA-N
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