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

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Formula C16H25N5OS
IUPAC Name (1s,3r,4s)-1-[(4-aminopyrrolo[3,2-d]pyrimidin-5-ium-1-id-7-yl)methyl]-4-(butylsulfanylmethyl)pyrrolidin-3-ol
Molecular Mass 335.468 g·mol−1
Heat of Formation 2.0 ± 16.7 kJ·mol−1
Dipole Moment 7.36 ± 1.08 D
Volume 415.06 Å 3
Surface Area 376.47 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s)-1-[(4-amino-5h-pyrrolo[5,4-e]pyrimidin-7-yl)methyl]-4-[(butylthio)methyl]-3-pyrrolidinol
  • (3r,4s)-1-[(4-amino-5h-pyrrolo[5,4-e]pyrimidin-7-yl)methyl]-4-[(butylthio)methyl]pyrrolidin-3-ol
InChIKey LTSUEVPGSXUJHT-OLZOCXBDSA-N
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