(8R)-3-(2-Chloro-2-Deoxy-β-D-Ribofuranosyl)-3,4,7,8-Tetrahydroimidazo[4,5-D][1,3]Diazepin-8-Ol

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Properties Simple | Detailed

Formula C11H15ClN4O4
IUPAC Name (8r)-3-[(2r,3r,4r,5r)-3-chloro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7,8-dihydro-4h-imidazo[4,5-d][1,3]diazepin-8-ol
Molecular Mass 302.714 g·mol−1
Heat of Formation -523.7 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 322.09 Å 3
Surface Area 278.42 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • (8r)-3-[(2r,3r,4r,5r)-3-chloro-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-7,8-dihydro-4h-imidazo[4,5-f][1,3]diazepin-8-ol
  • (8r)-3-[(2r,3r,4r,5r)-3-chloro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7,8-dihydro-4h-imidazo[4,5-f][1,3]diazepin-8-ol
  • (8r)-3-[(2r,3r,4r,5r)-3-chloro-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-7,8-dihydro-4h-imidazo[4,5-f][1,3]diazepin-8-ol
  • 2'-chloro-2'-deoxycoformycin
  • 2'-chloropentostatin
  • 2'-cldcf
  • adechlorin
  • azo(4,5d)(1,3)-diazepin-8-ol
  • imidazo(4,5-d)(1,3)diazepin-8-ol, 3-(2-chloro-2-deoxy-.beta.-d-ribofuranosyl)-3,4,7,8-tetrahydro-, (r)-
  • imidazo(4,5-d)(1,3)diazepin-8-ol, 3-(2-chloro-2-deoxy-beta-d-ribofuranosyl)-3,4,7,8-tetrahydro-, (r)-
CAS Number(s)
  • 96328-17-5
InChIKey JYWSHPMZFVPRRF-AMFMTJJISA-N
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Elements H C N O Cl