Coformycin

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Properties Simple | Detailed

Formula C11H16N4O5
IUPAC Name (2r,3r,4s,5r)-2-[(8r)-8-hydroxy-7,8-dihydro-4h-imidazo[5,4-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular Mass 284.269 g·mol−1
Heat of Formation -695.0 ± 16.7 kJ·mol−1
Dipole Moment 7.84 ± 1.08 D
Volume 308.45 Å 3
Surface Area 271.09 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[(8r)-8-hydroxy-7,8-dihydro-4h-imidazo[5,4-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[(8r)-8-hydroxy-7,8-dihydro-4h-imidazo[5,4-d][1,3]diazepin-3-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (8r)-3-beta-d-ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
  • (r)-3,4,7,8-tetrahydro-3-beta-d-ribofuranosylimidazo(4,5-d)(1,3)diazepin-8-ol
  • imidazo(4,5-d)(1,3)diazepin-8-ol, 3,4,7,8-tetrahydro-3-beta-d-ribofuranosyl-, (r)-
  • imidazo[4,5-d][1,3]diazepin-8-ol, 3,4,7,8-tetrahydro-3-.beta.-d-ribofuranosyl-, (8r)
InChIKey YOOVTUPUBVHMPG-LODYRLCVSA-N
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