2-Amino-5-{[(2,3-Dihydroxycyclopentyl)Amino]Methyl}-7-(5-O-Phosphonopentofuranosyl)-1,7-Dihydro-4H-Pyrrolo[2,3-D]Pyrimidin-4-One
Properties
Property | Value |
---|---|
Formula | C17H26N5O10P |
IUPAC Name | [(2r,3s,4r,5r)-5-[2-amino-5-[[[(1r,2s,3s)-2,3-dihydroxycyclopentyl]amino]methyl]-4-oxo-1h-pyrrolo[2,3-d]pyrimidine-3,7-diium-5-id-7-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
Molecular Mass | 491.390 g·mol−1 |
Heat of Formation | 212.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 13.29 ± 1.08 D |
Volume | 441.74 Å 3 |
Surface Area | 394.45 Å 2 |
HOMO Energy | -9.69 ± 0.55 eV |
LUMO Energy | 0.27 ± eV |
Point Group Symmetry | C1 |
InChIKey | VYTHZZVQRUCDCO-LXGXKJLISA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C O N |