(1S,2R,3S,5S)-3-(4-Amino-7H-Pyrrolo[2,3-D]Pyrimidin-7-Yl)-5-(Hydroxymethyl)-1,2-Cyclopentanediol

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Properties Simple | Detailed

Formula C12H16N4O3
IUPAC Name (1s,2r,3s,5s)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-ium-7-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Molecular Mass 264.280 g·mol−1
Heat of Formation -381.8 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 299.22 Å 3
Surface Area 267.32 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,3s,5s)-3-(4-amino-7-pyrrolo[2,3-d]pyrimidinyl)-5-(hydroxymethyl)cyclopentane-1,2-diol
  • (1s,2r,3s,5s)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
  • (1s,2r,3s,5s)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-methylol-cyclopentane-1,2-diol
  • 1,2-cyclopentanediol, 3-(4-amino-7h-pyrrolo(2,3-d)pyrimidine-7-yl)-5-(hydroxymethyl)-, (1alpha,2alpha,3beta,5beta)-(+-)-
  • 3-(4-amino-1h-pyrrolo(2,3-d)pyrimidin-1-yl)-5-(hydroxymethyl)-1,2-cyclopentanediol
  • 3-apphc
CAS Number(s)
  • 88767-13-9
InChIKey NWEFPWLRKOSAMD-MIBSWOBISA-N
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