(6As,7S,8R,9Ar)-4-Amino-8-(Hydroxymethyl)-6A,7,8,9A-Tetrahydro-6H-Furo[3',2':4,5]Pyrrolo[1,2-E]Purin-7-Ol

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Properties Simple | Detailed

Formula C11H13N5O3
IUPAC Name (6as,7s,8r,9ar)-4-amino-8-(hydroxymethyl)-6a,7,8,9a-tetrahydro-6h-furo[3',2':4,5]pyrrolo[1,2-e]purin-7-ol
Molecular Mass 263.253 g·mol−1
Heat of Formation -267.9 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 284.56 Å 3
Surface Area 248.96 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-8,2'-methylene-cycloadenosine
  • 2-dmca
  • 6h-furo(3',2':4,5)pyrrolo(1,2-e)purine-8-methanol, 4-amino-6a,7,8,9a-tetrahydro-7-hydroxy-, (6as-(6aalpha,7alpha,8beta,9aalpha))
CAS Number(s)
  • 99901-17-4
InChIKey QQYXIGRTYAOLMM-QLPOTSPLSA-N
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