Dcf

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Properties Simple | Detailed

Formula C11H17N4O4
IUPAC Name (8r)-3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4h-imidazo[4,5-f][1,3]diazepin-8-ol
Molecular Mass 269.277 g·mol−1
Heat of Formation -526.2 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 299.72 Å 3
Surface Area 267.47 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
Synonyms
  • (8r)-3-(2-deoxy-beta-d-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
  • (8r)-3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-7,8-dihydro-4h-imidazo[4,5-f][1,3]diazepin-8-ol
  • (8r)-3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7,8-dihydro-4h-imidazo[4,5-f][1,3]diazepin-8-ol
  • (8r)-3-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-7,8-dihydro-4h-imidazo[4,5-f][1,3]diazepin-8-ol
  • (r)-3-(2-deoxy-.beta.-d-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo(4,5-d)(1,3)diazepin-8-ol
  • 59979-24-7 (deleted)
  • cl-67310465
  • coforin
  • d00155
  • deoxycoformycin
  • imidazo[4,5-d][1,3]diazepin-8-ol, 3-(2-deoxy-.beta.-d-erythro-pentofuranosyl)-3,4,7,8-tetrahydro-, (8r)-
  • oncopent
  • pentostatin
  • pentostatin (jan/usan/inn)
CAS Number(s)
  • 53910-25-1
InChIKey FPVKHBSQESCIEP-JQCXWYLXSA-N
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