Valeric Acid, 5- (Purin-6-Ylthio)-

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Properties Simple | Detailed

Formula C10H12N4O2S
IUPAC Name 5-(7h-purin-6-ylsulfanyl)pentanoic acid
Molecular Mass 252.293 g·mol−1
Heat of Formation -133.4 ± 16.7 kJ·mol−1
Dipole Moment 6.83 ± 1.08 D
Volume 286.6 Å 3
Surface Area 275.03 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry Cs
Synonyms
  • 5-(1h-purin-6-ylthio)pentanoic acid
  • 5-(6-purinylthio)valeric acid
  • 5-(7h-purin-6-ylsulfanyl)pentanoic acid
  • 5-(7h-purin-6-ylthio)pentanoic acid
  • 5-(7h-purin-6-ylthio)valeric acid
  • 5-(purin-6-ylthio)valeric acid
  • 6-(4-carboxybutyl)mercaptopurin
  • buthiopurin
  • buthiopurine
  • citogran
  • cytogran
  • pentanoic acid, 5-(1h-purin-6-ylthio)-
  • pentanoic acid, 5-(1h-purin-6-ylthio)- (9ci)
  • valeric acid, 5-(purin-6-ylthio)-
CAS Number(s)
  • 608-12-8
InChIKey FWYNOXVCJSRVQV-UHFFFAOYSA-N
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