(4Ar,4Bs,8As,8Br)-1,8-Bis(2-Deoxy-β-D-Erythro-Pentofuranosyl)-4A,4B-Dimethylhexahydropyrimido[5',4':3,4]Cyclobuta[1,2-D]Pyrimidine-2,4,5,7(3H,6H)-Tetrone

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Formula C20H28N4O10
IUPAC Name (4ar,4bs,8as,8br)-1,8-bis(2-deoxy-β-d-erythro-pentofuranosyl)-4a,4b-dimethylhexahydropyrimido[5',4':3,4]cyclobuta[1,2-d]pyrimidine-2,4,5,7(3h,6h)-tetrone
Molecular Mass 484.457 g·mol−1
Heat of Formation -1777.7 ± 16.7 kJ·mol−1
Dipole Moment 8.35 ± 1.08 D
Volume 530.24 Å 3
Surface Area 387.72 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • cyclobuta(1,2-d:4,3-d')dipyrimidine-2,4,5,7(3h,6h)-tetrone, 1,8-bis(2-deoxy-beta-d-erythro-pentofuranosyl)hexahydro-4a,4b-dimethyl-, (4aalpha,4balpha,8aalpha,8balpha)-
  • cyclobuta-dithymidine photoproducts
  • cyclobutyl dithymidine dimers
  • cyclobutyldithymidine dimers
CAS Number(s)
  • 33407-74-8
  • 99211-98-0
InChIKey YAHHPOUXPBUKTL-FVIZJAOPSA-N
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