N~5~-(Diaminomethylene)-N~2~-({[5-(6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)Pentyl]Oxy}Carbonyl)-L-Ornithine

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Properties Simple | Detailed

Formula C17H26N8O5
IUPAC Name (2s)-5-guanidino-2-[5-(6-oxo-3h-purine-1,7-diium-4-id-9-yl)pentoxycarbonylamino]pentanoic acid
Molecular Mass 422.439 g·mol−1
Heat of Formation -667.3 ± 16.7 kJ·mol−1
Dipole Moment 10.11 ± 1.08 D
Volume 513.83 Å 3
Surface Area 420.8 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5-(diaminomethylideneamino)-2-[5-(6-oxo-3h-purin-9-yl)pentoxycarbonylamino]pentanoic acid
  • (2s)-5-guanidino-2-[5-(6-keto-3h-purin-9-yl)pentoxycarbonylamino]valeric acid
  • (2s)-5-guanidino-2-[5-(6-oxo-3h-purin-9-yl)pentoxycarbonylamino]pentanoic acid
  • (2s)-5-guanidino-2-[[oxo-[5-(6-oxo-3h-purin-9-yl)pentoxy]methyl]amino]pentanoic acid
  • l-arginine, n2-(((5-(1,6-dihydro-6-oxo-9h-purin-9-yl)pentyl)oxy)carbonyl)-
  • l-arginine, n2-[[[5-(1,6-dihydro-6-oxo-9h-purin-9-yl)pentyl]oxy]carbonyl]-
  • n(2)-(5-(hypoxanthin-9-yl)pentyloxycarbonyl)arginine
  • n2-(5-(hypoxanthin-9-yl)pentyloxycarbonyl)-l-arginine
  • pcf 39
  • pcf-39
CAS Number(s)
  • 104317-64-8
InChIKey UXOOSQUBNBVHPO-NSHDSACASA-N
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