1-(2-Deoxy-α-D-Erythro-Pentofuranosyl)-3-Nitro-1H-Pyrrole

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Properties Simple | Detailed

Formula C9H12N2O5
IUPAC Name (2r,3s,5s)-2-(hydroxymethyl)-5-(4-nitro-3h-pyrrol-1-ium-3-id-1-yl)tetrahydrofuran-3-ol
Molecular Mass 228.202 g·mol−1
Heat of Formation -474.3 ± 16.7 kJ·mol−1
Dipole Moment 9.74 ± 1.08 D
Volume 251.15 Å 3
Surface Area 237.35 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,5s)-2-(hydroxymethyl)-5-(3-nitro-1-pyrrolyl)-3-tetrahydrofuranol
  • (2r,3s,5s)-2-(hydroxymethyl)-5-(3-nitropyrrol-1-yl)oxolan-3-ol
  • (2r,3s,5s)-2-(hydroxymethyl)-5-(3-nitropyrrol-1-yl)tetrahydrofuran-3-ol
  • (2r,3s,5s)-2-methylol-5-(3-nitropyrrol-1-yl)tetrahydrofuran-3-ol
  • 1,2-drnp
  • 1-(2'-deoxy-beta-d-ribofuranosyl)-3-nitropyrrole
  • 1-(2-deoxy-beta-d-erythro-pentofuranosyl)-3-nitro-1h-pyrrole
  • 1h-pyrrole, 1-(2-deoxy-beta-d-erythro-pentofuranosyl)-3-nitro-
  • 3-nitropyrrole 2'-deoxyribonucleoside
CAS Number(s)
  • 157066-48-3
InChIKey WETFHJRYOTYZFD-YIZRAAEISA-N
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