(1S)-1-(2-Amino-6-Oxo-1,6-Dihydro-5-Pyrimidinyl)-1,4-Anhydro-D-Ribitol

Molecule SVG Image

Properties Simple | Detailed

Formula C9H13N3O5
IUPAC Name 2-amino-5-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1h-pyrimidin-6-one
Molecular Mass 243.217 g·mol−1
Heat of Formation -802.7 ± 16.7 kJ·mol−1
Dipole Moment 8.32 ± 1.08 D
Volume 263.01 Å 3
Surface Area 241.08 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-5-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3h-pyrimidin-4-one
  • 2-amino-5-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3h-pyrimidin-4-one
  • 2-amino-5-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-pyrimidin-4-one
  • 2-amino-5-[(2s,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3h-pyrimidin-4-one
  • 4(1h)-pyrimidinone, 2-amino-5-beta-d-ribofuranosyl-
  • 4-(1h)-pyrimidinone, 2-amino-5-.beta.-d-ribofuranosyl-
  • 5-(beta-d-ribofuranosyl)isocytosine
  • 59464-15-2 (hcl)
  • pseudoisocytidine
  • psi-isocytidine
CAS Number(s)
  • 57100-18-2
InChIKey MPDKOGQMQLSNOF-GBNDHIKLSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N