(2S)-2-({(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]-3,5,9-Trihydroxy-8,8-Dimethyl-3,5-Dioxido-10,14,20-Trioxo-2,4,6-Trioxa-18-Thia-11,15-Diaz A-3Lambda~5~,5Lambda~5~-Diphosphaicosan-20-Yl}Amino)Pentanedioic Acid (Non-Preferred Name)
Properties
Property | Value |
---|---|
Formula | C28H45N8O21P3S |
IUPAC Name | (2s)-2-[[2-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-ium-6-ylium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]acetyl]amino]pentanedioic acid |
Molecular Mass | 954.684 g·mol−1 |
Heat of Formation | -4578.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 10.19 ± 1.08 D |
Volume | 1011.19 Å 3 |
Surface Area | 843.3 Å 2 |
HOMO Energy | -9.12 ± 0.55 eV |
LUMO Energy | -1.43 ± eV |
Point Group Symmetry | C1 |
InChIKey | WCWCYRFADJEDNS-NOTSHUFBSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C H O N P S |