(1S,2R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3-(Hydroxymethyl)-3-Cyclopentene-1,2-Diol

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Properties Simple | Detailed

Formula C11H13N5O3
IUPAC Name (1s,2r,5r)-5-(6-aminopurin-9-ium-9-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
Molecular Mass 263.253 g·mol−1
Heat of Formation -214.3 ± 16.7 kJ·mol−1
Dipole Moment 5.20 ± 1.08 D
Volume 287.28 Å 3
Surface Area 263.26 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-9-(trans-2,trans-3-dihydroxy-4-(hydroxymethyl)-cyclopent-4-enyl)-adenine
  • (1s,2r,5r)-5-(6-amino-9-purinyl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
  • (1s,2r,5r)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
  • (1s,2r,5r)-5-(6-aminopurin-9-yl)-3-methylol-cyclopent-3-ene-1,2-diol
  • 4-cyclopentene-1,2-diol, 3-(6-amino-9h-purin-9-yl)-5-(hydroxymethyl)-, (1s,2r,3r)-
  • a-11079-b1b
  • neplanocin a
  • npc-a
CAS Number(s)
  • 72877-50-0
InChIKey XUGWUUDOWNZAGW-VDAHYXPESA-N
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