1-(2-Carboxyethyl)-2'-Deoxyadenosine 5'-(Dihydrogen Phosphate)

Molecule SVG Image

Properties Simple | Detailed

Formula C13H18N5O8P
IUPAC Name 3-[9-[(2r,4s,5r)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-6-imino-purine-3,7-diium-1-yl]propanoic acid
Molecular Mass 403.284 g·mol−1
Heat of Formation -1436.8 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 435.32 Å 3
Surface Area 357.72 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
InChIKey MRAOIJOEQRNBPX-PYEHZEBOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N