Clitocine

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Properties Simple | Detailed

Formula C9H13N5O6
IUPAC Name (2r,3r,4s,5r)-2-[(6-amino-5-nitro-pyrimidine-1,3-diium-5-id-4-yl)amino]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 287.229 g·mol−1
Heat of Formation -649.5 ± 16.7 kJ·mol−1
Dipole Moment 2.09 ± 1.08 D
Volume 297.18 Å 3
Surface Area 270.38 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[(6-amino-5-nitro-4-pyrimidinyl)amino]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[(6-amino-5-nitro-pyrimidin-4-yl)amino]-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-[(6-amino-5-nitro-pyrimidin-4-yl)amino]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[(6-amino-5-nitro-pyrimidin-4-yl)amino]-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)oxolane-3,4-diol
  • 6-amino-5-nitro-4-(ribofuranosylamino)pyrimidine
  • beta-d-ribofuranosylamine, n-(6-amino-5-nitro-4-pyrimidinyl)-
CAS Number(s)
  • 105798-74-1
InChIKey OHEMBWZZEKCBAS-UUOKFMHZSA-N
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