Dihydroxycoprostanoic Acid

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Properties Simple | Detailed

Formula C10H11N5O2
IUPAC Name (1s,2r,5r)-5-(6-aminopurin-9-ium-9-yl)cyclopent-3-ene-1,2-diol
Molecular Mass 233.227 g·mol−1
Heat of Formation -24.0 ± 16.7 kJ·mol−1
Dipole Moment 3.16 ± 1.08 D
Volume 254.5 Å 3
Surface Area 236.46 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-9-[trans-2'-trans-3'-dihydroxycyclopent-4'-enyl]-adenine
  • (1s,2r,5r)-5-(6-amino-9-purinyl)cyclopent-3-ene-1,2-diol
  • (1s,2r,5r)-5-(6-aminopurin-9-yl)cyclopent-3-ene-1,2-diol
  • avs-3586
  • dhca
  • dhcea
  • ohca
InChIKey RQPALADHFYHEHK-JKMUOGBPSA-N
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