4-Amino-1-β-L-Ribofuranosyl-1,3,5-Triazine-2(1H)-One

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Properties Simple | Detailed

Formula C8H4N4O5
IUPAC Name carbononitridic isocyanate; (z)-(3,4-dioxotetrahydrofuran-2-ylidene)cyanamide; formaldehyde
Molecular Mass 236.141 g·mol−1
Heat of Formation 126.9 ± 16.7 kJ·mol−1
Dipole Moment 2.04 ± 1.08 D
Volume 256.32 Å 3
Surface Area 230.52 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy 0.78 ± eV
Point Group Symmetry C1
Synonyms
  • .beta.-l-xylofuranosyl-5-azacytosine
  • 4-amino-1-[(2s,3s,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-1,3,5-triazin-2-one
  • 4-amino-1-[(2s,3s,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazin-2-one
  • 4-amino-1-[(2s,3s,4r,5s)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-s-triazin-2-one
  • l-.beta.-ribofuranosyl-5-azacytosine
  • l-5-azacytidine
InChIKey NMUSYJAQQFHJEW-BXKVDMCESA-N
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