(1S,2R,5R)-3-(Hydroxymethyl)-5-(6-Hydroxy-9H-Purin-9-Yl)Cyclopent-3-Ene-1,2-Diol

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Properties Simple | Detailed

Formula C11H12N4O4
IUPAC Name 9-[(1r,4r,5s)-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-3,8-dihydro-2h-purine-1,2,4,5,7,8-hexaid-6-one
Molecular Mass 264.237 g·mol−1
Heat of Formation -369.7 ± 16.7 kJ·mol−1
Dipole Moment 12.23 ± 1.08 D
Volume 283.58 Å 3
Surface Area 257.96 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
Synonyms
  • 6h-purin-6-one, 1,9-dihydro-9-(4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl)-, (1r-(1-alpha,4-beta,5-beta))-
  • 6h-purin-6-one, 9-[(1r,4r,5s)-4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl]-1,9-dihydro-
  • 9-[(1r,4r,5s)-4,5-dihydroxy-3-methylol-1-cyclopent-2-enyl]-3h-purin-6-one
  • neplanocin d
CAS Number(s)
  • 72877-47-5
InChIKey ZOGIBYIZRGKFQR-VDAHYXPESA-N
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