5'-O-[(S)-{[(S)-{[(8R)-2-Amino-4-Hydroxy-6,7-Disulfanyl-8H-Pyrano[3,2-G]Pteridin-8-Yl]Methoxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Cytidine
Properties
| Property | Value |
|---|---|
| Formula | C19H22N8O13P2S2 |
| IUPAC Name | [[(8r)-2-amino-4-hydroxy-6,7-bis(sulfanyl)-8h-pyrano[3,2-g]pteridin-8-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate |
| Molecular Mass | 696.501 g·mol−1 |
| Heat of Formation | -611.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.27 ± 1.08 D |
| Volume | 631.35 Å 3 |
| Surface Area | 471.75 Å 2 |
| HOMO Energy | -9.03 ± 0.55 eV |
| LUMO Energy | -2.84 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RBWYFPNWTRZKKZ-LOIMWUFNSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C S O N |