3-[(4-Amino-2-Methoxy-5-Pyrimidinyl)Methyl]-5-(2-{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Ethyl)-4-Methyl-1,3-Thiazol-3-Ium

Molecule SVG Image

Properties Simple | Detailed

Formula C12H16N4O8P2S--
IUPAC Name [2-[3-[(4-amino-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-thiazolidine-2,4,5-triid-5-yl]ethoxy-oxido-phosphoryl] phosphate
Molecular Mass 438.290 g·mol−1
Heat of Formation -1425.4 ± 16.7 kJ·mol−1
Dipole Moment 8.25 ± 1.08 D
Volume 425.57 Å 3
Surface Area 316.86 Å 2
HOMO Energy -8.10 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
InChIKey PWBCVHDHRGCQHM-UHFFFAOYSA-L
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P S