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

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Formula C19H23N5OS
IUPAC Name (1s,3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol
Molecular Mass 369.484 g·mol−1
Heat of Formation 176.5 ± 16.7 kJ·mol−1
Dipole Moment 6.24 ± 1.08 D
Volume 443.31 Å 3
Surface Area 395.37 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s)-1-[(4-amino-5h-pyrrolo[5,4-e]pyrimidin-7-yl)methyl]-4-(phenylmethylsulfanylmethyl)pyrrolidin-3-ol
  • (3r,4s)-1-[(4-amino-5h-pyrrolo[5,4-e]pyrimidin-7-yl)methyl]-4-[(benzylthio)methyl]pyrrolidin-3-ol
  • (3r,4s)-1-[(4-amino-5h-pyrrolo[5,4-e]pyrimidin-7-yl)methyl]-4-[(phenylmethylthio)methyl]-3-pyrrolidinol
InChIKey DIGGNILBPCEZIV-CVEARBPZSA-N
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