[2-[4-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-5-[(1S)-1,2-Dihydroxyethyl]-3-Methyl-2-Thienyl]Ethoxy-Oxido-Phosphoryl] Phosphate

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Properties Simple | Detailed

Formula C15H23N3O9P2S
IUPAC Name 2-[4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-[(1r)-1,2-dihydroxyethyl]-3-methyl-2-thienyl]ethyl phosphono hydrogen phosphate
Molecular Mass 483.370 g·mol−1
Heat of Formation -2174.4 ± 16.7 kJ·mol−1
Dipole Moment 5.76 ± 1.08 D
Volume 510.54 Å 3
Surface Area 421.81 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
InChIKey AZNRIYLXMXTRTE-GFCCVEGCSA-N
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