1-(β-D-Arabinofuranosyl)-4-[(3-Carboxypropanoyl)Amino]-2(1H)-Pyrimidinone

Molecule SVG Image

Properties Simple | Detailed

Formula C13H17N3O8+
IUPAC Name 4-[[1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]amino]-4-oxo-butanoic acid
Molecular Mass 343.289 g·mol−1
Heat of Formation -1359.9 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 369.77 Å 3
Surface Area 335.15 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-oxo-4-pyrimidinyl]amino]-4-oxobutanoic acid
  • 4-[[1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-pyrimidin-4-yl]amino]-4-oxo-butanoic acid
  • 4-[[1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutanoic acid
  • 4-[[1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]amino]-4-oxo-butanoic acid
  • 4-[[1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-2-keto-pyrimidin-4-yl]amino]-4-keto-butyric acid
  • butanoic acid, 4-((1-beta-d-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)amino)-4-oxo-
  • n(4)-succinyl-1-beta-d-arabinofuranosylcytosine
  • succinyl-ara-c
CAS Number(s)
  • 55726-37-9
InChIKey GFDPKOGBJRXYAE-IJJXPJNWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N