1-{5-O-[{[{[3,4-Dihydroxy-4-(Hydroxymethyl)Tetrahydro-2-Furanyl]Oxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Pentofuranosyl}-2,4(1H,3H)-Pyrimidinedione
Properties
Property | Value |
---|---|
Formula | C14H22N2O16P2 |
IUPAC Name | [(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl] [[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate |
Molecular Mass | 536.276 g·mol−1 |
Heat of Formation | -3504.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.13 ± 1.08 D |
Volume | 522.91 Å 3 |
Surface Area | 382.4 Å 2 |
HOMO Energy | -9.85 ± 0.55 eV |
LUMO Energy | 1.61 ± eV |
Point Group Symmetry | C1 |
InChIKey | SYVORCSTSYHSPN-VPPDZDBCSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |