[2-[3-[[(5S)-4-Azanidyl-2-Methyl-5H-Pyrimidine-1,3-Diium-5-Yl]Methyl]-2-[(Z)-1-Hydroxy-3-[Hydroxy(Oxido)Phosphoryl]Oxy-Prop-1-Enyl]-4-Methyl-Thiazol-2-Id-5-Yl]Ethoxy-Oxido-Phosphoryl] Hydrogen Phosphate

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Properties Simple | Detailed

Formula C15H26N4O12P3S
IUPAC Name [2-[3-[[(5s)-4-azanidyl-2-methyl-5h-pyrimidine-1,3-diium-5-yl]methyl]-2-[(z)-1-hydroxy-3-[hydroxy(oxido)phosphoryl]oxy-prop-1-enyl]-4-methyl-thiazol-2-id-5-yl]ethoxy-oxido-phosphoryl] hydrogen phosphate
Molecular Mass 579.373 g·mol−1
Heat of Formation -2306.9 ± 16.7 kJ·mol−1
Dipole Moment 19.97 ± 1.08 D
Volume 560.54 Å 3
Surface Area 409.74 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy -2.17 ± eV
Point Group Symmetry C1
InChIKey JUBFDSDCDKJWST-DGPIJTSBSA-N
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