(2R,3R,3Ar,9Ar)-2-(Hydroxymethyl)-3-Iodo-7-Methyl-2,3,3A,9A-Tetrahydro-6H-Furo[2',3':4,5][1,3]Oxazolo[3,2-A]Pyrimidin-6-One

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Properties Simple | Detailed

Formula C10H11IN2O4
IUPAC Name (2r,4r,5r,6r)-4-(hydroxymethyl)-5-iodo-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one
Molecular Mass 350.110 g·mol−1
Heat of Formation -456.5 ± 16.7 kJ·mol−1
Dipole Moment 6.40 ± 1.08 D
Volume 285.57 Å 3
Surface Area 252.4 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2'-anhydro-1-(3'-deoxy-3'-iodoarabinofuranosyl)thymine
  • 6h-furo(2',3':4,5)oxazolo(3,2-a)pyrimidin-6-one, 2,3,3a,9a-tetrahydro-2-(hydroxymethyl)-3-iodo-7-methyl-, (2r-(2alpha,3beta,3abeta,9abeta))-
  • adiaft
CAS Number(s)
  • 142545-11-7
InChIKey DCTFKMFOWOUYPI-JAGXHNFQSA-N
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