5'-[(1H-Benzimidazol-2-Ylacetyl)Amino]-5'-Deoxycytidine

Molecule SVG Image

Properties Simple | Detailed

Formula C18H20N6O5
IUPAC Name n-[[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-2-(1h-benzimidazol-2-yl)acetamide
Molecular Mass 400.389 g·mol−1
Heat of Formation -639.3 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 445.08 Å 3
Surface Area 339.03 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
Synonyms
  • n-[[(2r,3s,4r,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-2-(1h-benzimidazol-2-yl)acetamide
  • n-[[(2r,3s,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl]-2-(1h-benzimidazol-2-yl)acetamide
  • n-[[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-2-(1h-benzimidazol-2-yl)ethanamide
  • n-[[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-2-(1h-benzimidazol-2-yl)acetamide
InChIKey MMCWRTZSCVUETH-GAEVZRCVSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N