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

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Properties Simple | Detailed

Formula C12H17N5O2
IUPAC Name (3r,4r)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-ol
Molecular Mass 263.296 g·mol−1
Heat of Formation -122.9 ± 16.7 kJ·mol−1
Dipole Moment 6.71 ± 1.08 D
Volume 308.86 Å 3
Surface Area 283.68 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4r)-1-[(4-amino-5h-pyrrolo[5,4-e]pyrimidin-7-yl)methyl]-4-(hydroxymethyl)-3-pyrrolidinol
  • (3r,4r)-1-[(4-amino-5h-pyrrolo[5,4-e]pyrimidin-7-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-ol
  • (3r,4r)-1-[(4-amino-5h-pyrrolo[5,4-e]pyrimidin-7-yl)methyl]-4-methylol-pyrrolidin-3-ol
InChIKey HYYXEHQHMXTTFP-BDAKNGLRSA-N
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