[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]Methyl (3R)-3-Hydroxy-2,2-Dimethyl-4-[(3-{[4-(Methylsulfonyl)Butyl]Amino}-3-Oxopropyl)Amino]-4-Oxobutyl Dihydrog En Diphosphate (Non-Preferred Name)
Properties
Property | Value |
---|---|
Formula | C24H42N7O18P3S |
IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurin-9-ium-4-ylium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(3r)-3-hydroxy-2,2-dimethyl-4-[[3-(4-methylsulfonylbutylamino)-3-oxo-propyl]amino]-4-oxo-butyl] hydrogen phosphate |
Molecular Mass | 841.613 g·mol−1 |
Heat of Formation | -4058.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 11.41 ± 1.08 D |
Volume | 881.72 Å 3 |
Surface Area | 728.0 Å 2 |
HOMO Energy | -9.42 ± 0.55 eV |
LUMO Energy | -1.30 ± eV |
Point Group Symmetry | C1 |
InChIKey | RMJJETDNMMDBND-NDZSKPAWSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C H O N P S |