(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]-3,5,9,21-Tetrahydroxy-8,8-Dimethyl-10,14,19-Trioxo-2,4,6-Trioxa-18-Thia-11,15-Diaza-3,5-Diphosphatricosan-23-Oic Acid 3,5-Dioxide
Properties
Property | Value |
---|---|
Formula | C26H42N7O20P3S |
IUPAC Name | (3s)-5-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3-dihydroxyphosphoryloxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-hydroxy-5-oxo-pentanoic acid |
Molecular Mass | 897.633 g·mol−1 |
Heat of Formation | -1848.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.97 ± 1.08 D |
Volume | 785.77 Å 3 |
Surface Area | 558.29 Å 2 |
HOMO Energy | -8.88 ± 0.55 eV |
LUMO Energy | -3.29 ± eV |
Point Group Symmetry | C1 |
InChIKey | IIYZSYKTQRIPRG-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P S C O N |