[[(Z)-4-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methylamino]-3-Sulfanyl-Pent-3-Enoxy]-Oxido-Phosphoryl] Hydrogen Phosphate

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Properties Simple | Detailed

Formula C11H22N4O7P2S
IUPAC Name [[4-[(4-amino-2-methyl-pyrimidine-1,3-diium-5-id-5-yl)methyliminio]-3-sulfanyl-pentoxy]-oxido-phosphoryl] hydrogen phosphate
Molecular Mass 416.328 g·mol−1
Heat of Formation -1803.4 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 440.65 Å 3
Surface Area 384.08 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy 1.76 ± eV
Point Group Symmetry C1
Synonyms
  • 9
  • p
  • t
InChIKey WTQDUFKDQLXDPH-YFHOEESVSA-N
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