5'-({[(2R,3R)-3-Amino-2-{[2-({N-[(2R)-2-Hydroxy-3,3-Dimethyl-4-{[Oxido(Oxo)Phosphonio]Oxy}Butanoyl]-β-Alanyl}Amino)Ethyl]Sulfanyl}-4-Methylpentyl]Sulfonyl}Amino)-5'-Deoxyadenosine
Properties
Property | Value |
---|---|
Formula | C27H46N9O11PS2 |
IUPAC Name | [(3r)-4-[[3-[2-[(1r,2r)-2-amino-1-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfamoylmethyl]-3-methyl-butyl]sulfanylethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-oxido-oxo-phosphonium |
Molecular Mass | 767.812 g·mol−1 |
Heat of Formation | 1824.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 52.98 ± 1.08 D |
Volume | 732.57 Å 3 |
Surface Area | 637.71 Å 2 |
HOMO Energy | -8.06 ± 0.55 eV |
LUMO Energy | -3.37 ± eV |
Point Group Symmetry | C1 |
InChIKey | NKPOAMLNYLWQKJ-AWSFPXBRSA-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 |