(2S,3S,4R,5R)-5-[6-Amino-2-[2-[4-[3-(2-Aminoethylamino)-3-Oxo-Propyl]Phenyl]Ethylamino]Purine-1,3,7-Triium-9-Yl]-N-Ethyl-3,4-Dihydroxy-Tetrahydrofuran-2-Carboxamide
Properties
Property | Value |
---|---|
Formula | C25H35N9O5 |
IUPAC Name | (2s,3s,4r,5r)-5-[6-amino-2-[2-[4-[3-(2-aminoethylamino)-3-oxo-propyl]phenyl]ethylamino]purine-1,3,7-triium-9-yl]-n-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide |
Molecular Mass | 541.603 g·mol−1 |
Heat of Formation | -695.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.50 ± 1.08 D |
Volume | 642.78 Å 3 |
Surface Area | 456.59 Å 2 |
HOMO Energy | -8.51 ± 0.55 eV |
LUMO Energy | 2.82 ± eV |
Point Group Symmetry | C1 |
InChIKey | FSFWJSQFOVURPV-CMCWBKRRSA-O |
QR Code | Generate QR Code |
Links | |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |