[(2S,3S,5R)-3-[(2S)-3-[[(2R,3R,4R,5R)-3-Hydroxy-4-Methoxy-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methylamino]-2-Methyl-3-Oxo-Propyl]-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C25H36N5O13P
IUPAC Name [(2s,3s,5r)-3-[(2s)-3-[[(2r,3r,4r,5r)-3-hydroxy-4-methoxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methylamino]-2-methyl-3-oxo-propyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 645.553 g·mol−1
Heat of Formation -2699.2 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 736.22 Å 3
Surface Area 519.89 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
InChIKey ATFPAUAOEANBDJ-QCSMCPAWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N