(3R,4S)-1-[(4-Amino-5H-Pyrrolo[3,2-D]Pyrimidin-7-Yl)Methyl]-4-[(Methylsulfanyl)Methyl]-3-Pyrrolidinol

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Properties Simple | Detailed

Formula C13H19N5OS
IUPAC Name (1r,3r,4s)-1-[(4-aminopyrrolo[3,2-d]pyrimidin-5-ium-4a-ylium-7-yl)methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol
Molecular Mass 293.388 g·mol−1
Heat of Formation 29.3 ± 16.7 kJ·mol−1
Dipole Moment 7.80 ± 1.08 D
Volume 347.48 Å 3
Surface Area 302.84 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol
  • (3r,4s)-1-[(4-amino-5h-pyrrolo[5,4-e]pyrimidin-7-yl)methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol
  • (3r,4s)-1-[(4-amino-5h-pyrrolo[5,4-e]pyrimidin-7-yl)methyl]-4-[(methylthio)methyl]-3-pyrrolidinol
  • (3r,4s)-1-[(4-amino-5h-pyrrolo[5,4-e]pyrimidin-7-yl)methyl]-4-[(methylthio)methyl]pyrrolidin-3-ol
  • (3r,4s)-1-[9-deazaadenin-9-yl)methyl]-3-hydroxy-4-(methylthiomethyl)pyrrolidine
InChIKey NTHMDFGHOCNNOE-ZJUUUORDSA-N
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