(2R,3S,4S)-5-[(4As)-5-[(1S)-1-Amino-1,3-Diphenylpropyl]-7,8-Dimethyl-2,4-Dioxo-3,4,4A,5-Tetrahydrobenzo[G]Pteridin-10(2H)-Yl]-2,3,4-Trihydroxypentyl [(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydr Oxytetrahydro-2-Furanyl]Methyl Dihydrogen Diphosphate (Non-Preferred Name)

Molecule SVG Image

Properties Simple | Detailed

Formula C42H50N10O15P2
IUPAC Name [[(2r,3s,4s)-5-[(5s)-5-[(1s)-1-amino-1,3-diphenyl-propyl]-7,8-dimethyl-2,4-dioxo-4ah-benzo[g]pteridin-10-yl]-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 996.852 g·mol−1
Heat of Formation -2706.4 ± 16.7 kJ·mol−1
Dipole Moment 9.97 ± 1.08 D
Volume 1085.79 Å 3
Surface Area 854.22 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
InChIKey AZOWZKANNHCUOJ-VIIZLGSKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N