2-Amino-7-[(2S)-3-Chloro-2-Hydroxypropyl]-3,7-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C8H10ClN5O2
IUPAC Name 2-amino-7-[(2s)-3-chloro-2-hydroxy-propyl]-3h-purine-1,9-diium-5-id-6-one
Molecular Mass 243.650 g·mol−1
Heat of Formation -170.8 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 260.72 Å 3
Surface Area 239.48 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-7-[(2s)-3-chloro-2-hydroxy-propyl]-3h-purin-6-one
  • 2-amino-7-[(2s)-3-chloro-2-hydroxypropyl]-3h-purin-6-one
InChIKey PIDAKZXLZJQELO-SCSAIBSYSA-N
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Elements H C N O Cl