(4As,6R,7S,7As)-6-[6-(Butyrylamino)-9H-Purin-9-Yl]-2-Hydroxy-2-Oxidotetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-7-Yl Butyrate
Properties
Property | Value |
---|---|
Formula | C18H24N5O8P |
IUPAC Name | [(2r,4as,6r,7r,7as)-6-[6-(butanoylamino)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate |
Molecular Mass | 469.386 g·mol−1 |
Heat of Formation | -1457.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.85 ± 1.08 D |
Volume | 509.31 Å 3 |
Surface Area | 439.07 Å 2 |
HOMO Energy | -9.19 ± 0.55 eV |
LUMO Energy | -1.01 ± eV |
Point Group Symmetry | C1 |
InChIKey | CJGYSWNGNKCJSB-UVLSQEMTSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |