5'-{[(3S)-3-Amino-3-Carboxypropyl][2-(1-Benzothiophen-3-Yl)Ethyl]Amino}-5'-Deoxyadenosine
Properties
Property | Value |
---|---|
Formula | C24H29N7O5S |
IUPAC Name | (2s)-2-amino-4-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-[2-(benzothiophen-3-yl)ethyl]amino]butanoic acid |
Molecular Mass | 527.596 g·mol−1 |
Heat of Formation | -516.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.49 ± 1.08 D |
Volume | 597.01 Å 3 |
Surface Area | 450.42 Å 2 |
HOMO Energy | -8.61 ± 0.55 eV |
LUMO Energy | -0.73 ± eV |
Point Group Symmetry | C1 |
InChIKey | FSMQALLDUCWVDV-PISIQOCNSA-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 |