Dtdp-α-D-Glucose

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Properties Simple | Detailed

Formula C16H26N2O16P2
IUPAC Name formaldehyde; [oxido-[(6-oxo-3-oxoammoniocarbonyl-2h-1,3-oxazepin-7-yl)methoxy]phosphoryl] (3,4,5-trioxotetrahydropyran-2-yl) phosphate
Molecular Mass 564.329 g·mol−1
Heat of Formation -3540.5 ± 16.7 kJ·mol−1
Dipole Moment 8.84 ± 1.08 D
Volume 576.15 Å 3
Surface Area 453.94 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
Synonyms
  • 2'deoxy-thymidine-5'-diphospho-alpha-d-glucose
  • [[(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] hydrogen phosphate
  • [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methoxy]phosphoryl] [(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl] hydrogen phosphate
  • [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] [(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
  • [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] [(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate
  • dau
InChIKey YSYKRGRSMLTJNL-URARBOGNSA-N
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