1-Deoxy-1-(7-Methyl-2,4-Dioxo-8-Thiocyanato-3,4-Dihydrobenzo[G]Pteridin-10(2H)-Yl)Pentitol
Properties
Property | Value |
---|---|
Formula | C17H17N5O6S |
IUPAC Name | [7-methyl-2,4-dioxo-10-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-8-yl] thiocyanate |
Molecular Mass | 419.412 g·mol−1 |
Heat of Formation | -660.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.65 ± 1.08 D |
Volume | 455.37 Å 3 |
Surface Area | 386.49 Å 2 |
HOMO Energy | -9.45 ± 0.55 eV |
LUMO Energy | -2.37 ± eV |
Point Group Symmetry | C1 |
InChIKey | MRWFADACGNTJKE-GYSYKLTISA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |