(2R,3S,3As,11Ar)-7-Amino-2-(Hydroxymethyl)-2,3,3A,4,5,11A-Hexahydrofuro[3',2':5,6]Pyrido[1,2-E]Purin-3-Ol

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Formula C12H15N5O3
IUPAC Name (2r,3s,3as,11ar)-7-amino-2-(hydroxymethyl)-2,3,3a,4,5,11a-hexahydrofuro[3',2':5,6]pyrido[1,2-e]purin-3-ol
Molecular Mass 277.279 g·mol−1
Heat of Formation -311.9 ± 16.7 kJ·mol−1
Dipole Moment 5.16 ± 1.08 D
Volume 303.6 Å 3
Surface Area 261.75 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-8,2'-ethano-cycloadenosine
  • 8,2'-ethano-cyclo-2'-deoxyadenosine
  • 8,2-ecda
  • furo(3',2':5,6)pyrido(1,2-e)purine-2-methanol, 7-amino-2,3,3a,4,5,11a-hexahydro-3-hydroxy-, (2r-(2alpha,3beta,3abeta,11abeta))-
CAS Number(s)
  • 99901-16-3
InChIKey UBNLUHVBXRHGNH-IOHMESMBSA-N
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