(1S)-1-(7-Amino-2H-Pyrazolo[4,3-D]Pyrimidin-3-Yl)-1,4-Anhydro-5-S-Methyl-5-Thio-D-Ribitol

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Formula C11H15N5O3S
IUPAC Name (2s,3r,4s,5s)-2-(7-aminopyrazolo[4,3-d]pyrimidin-2-ium-3-yl)-5-(methylsulfanylmethyl)tetrahydrofuran-3,4-diol
Molecular Mass 297.334 g·mol−1
Heat of Formation -239.7 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 326.02 Å 3
Surface Area 274.94 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s)-2-(7-amino-2h-pyrazolo[5,4-e]pyrimidin-3-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
  • (2s,3r,4s,5s)-2-(7-amino-2h-pyrazolo[5,4-e]pyrimidin-3-yl)-5-(methylsulfanylmethyl)tetrahydrofuran-3,4-diol
  • (2s,3r,4s,5s)-2-(7-amino-2h-pyrazolo[5,4-e]pyrimidin-3-yl)-5-[(methylthio)methyl]tetrahydrofuran-3,4-diol
InChIKey MKHSXTZLSSHHQZ-LFAOKBQASA-N
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