1-(3-C-Ethynylribopentofuranosyl)Cytosine

Molecule SVG Image

Properties Simple | Detailed

Formula C11H13N3O5
IUPAC Name 4-amino-1-[(2r,3r,4s,5r)-4-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-3-ium-2-one
Molecular Mass 267.238 g·mol−1
Heat of Formation -546.9 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 292.88 Å 3
Surface Area 255.3 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
InChIKey JFIWEPHGRUDAJN-DYUFWOLASA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N