(2R,4R,5S,6S)-4,5-Dihydroxy-4,6-Dimethyltetrahydro-2H-Pyran-2-Yl [(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)Tetrahydro-2-Furanyl]Methyl Dihydrogen Diphosphate (Non-Preferred Name)

Molecule SVG Image

Properties Simple | Detailed

Formula C17H28N2O14P2++
IUPAC Name [(2r,4r,5s,6s)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl] [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] hydrogen phosphate
Molecular Mass 546.357 g·mol−1
Heat of Formation -3228.1 ± 16.7 kJ·mol−1
Dipole Moment 7.62 ± 1.08 D
Volume 559.5 Å 3
Surface Area 417.3 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,4r,5s,6s)-4,5-dihydroxy-4,6-dimethyl-2-tetrahydropyranyl] [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methoxy]phosphoryl] hydrogen phosphate
  • [(2r,4r,5s,6s)-4,5-dihydroxy-4,6-dimethyl-oxan-2-yl] [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
  • [(2r,4r,5s,6s)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl] [[(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,4r,5s,6s)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl] [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] hydrogen phosphate
  • [(2r,4r,5s,6s)-4,5-dihydroxy-4,6-dimethyloxan-2-yl] [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
  • dtdp-2,6-dideoxy-3-c-methyl-beta-l-ribo-hexose
  • dtdp-beta-l-mycarose
InChIKey WILFWCJMOXHLEQ-ORWDRJNOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N