N-(4-Acetamidobutyl)-5'-Deoxy-5'-{Isopropyl[3-({[4-(2-Methyl-2-Propanyl)Phenyl]Carbamoyl}Amino)Propyl]Amino}Adenosine

Molecule SVG Image

Properties Simple | Detailed

Formula C33H51N9O5
IUPAC Name n-[4-[[9-[(2r,3r,4s,5r)-5-[[3-[(4-tert-butylphenyl)carbamoylamino]propyl-isopropyl-amino]methyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]purin-9-ium-6-yl]amino]butyl]acetamide
Molecular Mass 653.815 g·mol−1
Heat of Formation -784.6 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 807.55 Å 3
Surface Area 693.16 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
InChIKey UMDWALJSYFZDHM-QWOIFIOOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N