2-{4-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-5-[(1R)-1-Hydroxyethyl]-3-Methyl-2-Thienyl}Ethyl Trihydrogen Diphosphate

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Formula C15H23N3O8P2S
IUPAC Name 2-[4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-[(1r)-1-hydroxyethyl]-3-methyl-2-thienyl]ethyl phosphono hydrogen phosphate
Molecular Mass 467.371 g·mol−1
Heat of Formation -1993.9 ± 16.7 kJ·mol−1
Dipole Moment 8.22 ± 1.08 D
Volume 500.39 Å 3
Surface Area 421.35 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
InChIKey ORVRYSKZCUVOLA-SECBINFHSA-N
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