(2S)-2-Amino-4-({[(2S,3S,4S,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl}Sulfanyl)Butanoic Acid

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Properties Simple | Detailed

Formula C14H20N6O5S
IUPAC Name (2s)-2-amino-4-[[(2s,3s,4s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid
Molecular Mass 384.411 g·mol−1
Heat of Formation -649.8 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 425.84 Å 3
Surface Area 374.87 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-4-[[(2s,3s,4s,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methylthio]butanoic acid
  • (2s)-2-amino-4-[[(2s,3s,4s,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methylsulfanyl]butanoic acid
  • (2s)-2-amino-4-[[(2s,3s,4s,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid
  • (2s)-2-amino-4-[[(2s,3s,4s,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylthio]butyric acid
  • (2s)-2-amino-4-[[(2s,3s,4s,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
  • 9h-purin-6-amine, 9-(5-s-(3-amino-3-carboxypropyl)-5-thio-beta-d-arabinofuranosyl)-, (s)-
  • ara-a-homocysteine
  • ara-ahcy
  • s-(5-(9-arabinofuranosyladenyl))-l-homocysteine
CAS Number(s)
  • 55267-52-2
InChIKey ZJUKTBDSGOFHSH-HSOHWKKZSA-N
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