(3R,4R,5S,6R)-3-Amino-2-{[{[{[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methoxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Oxy}-5-Hydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-4-Yl (3R)-3-Hydroxytetradecanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C29H51N3O18P2++
IUPAC Name [(2r,3r,4r,5s,6r)-3-amino-2-[[[(2r,3s,4r,5r)-5-(2,4-dioxo-5h-pyrimidin-1-ium-5-id-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] (3r)-3-hydroxytetradecanoate
Molecular Mass 791.672 g·mol−1
Heat of Formation -4141.8 ± 16.7 kJ·mol−1
Dipole Moment 7.91 ± 1.08 D
Volume 879.11 Å 3
Surface Area 685.25 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
InChIKey ZFPNNOXCEDQJQS-SSVOXRMNSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N