N-[2-(3,5-Dimethoxyphenyl)-2-(2-Methylphenyl)Ethyl]-9-Pentofuranosyl-9H-Purin-6-Amine
Properties
Property | Value |
---|---|
Formula | C27H31N5O6 |
IUPAC Name | (2r,3s,4r,5s)-2-[6-[[(2s)-2-(3,5-dimethoxyphenyl)-2-(o-tolyl)ethyl]amino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol |
Molecular Mass | 521.565 g·mol−1 |
Heat of Formation | -643.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.88 ± 1.08 D |
Volume | 602.25 Å 3 |
Surface Area | 515.13 Å 2 |
HOMO Energy | -8.73 ± 0.55 eV |
LUMO Energy | -0.35 ± eV |
Point Group Symmetry | C1 |
InChIKey | BUHVIAUBTBOHAG-NEZSVJKRSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |