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

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Properties Simple | Detailed

Formula C11H14BrN5O2
IUPAC Name (1s,2r,3s,5r)-3-amino-5-(4-amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-ium-7-yl)cyclopentane-1,2-diol
Molecular Mass 328.165 g·mol−1
Heat of Formation -135.1 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 313.16 Å 3
Surface Area 277.08 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.55 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,3s,5r)-3-amino-5-(4-amino-5-bromo-7-pyrrolo[2,3-d]pyrimidinyl)cyclopentane-1,2-diol
  • (1s,2r,3s,5r)-3-amino-5-(4-amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol
InChIKey FKFYQPGMXTXSTC-LWIVVEGESA-N
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Elements H C O Br N