(2R,5S)-5-Amino-8-[(Diaminomethylene)Amino]-2-(4-Hydroxybenzyl)-4-Oxooctanoic Acid

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Properties Simple | Detailed

Formula C16H24N4O4
IUPAC Name (2r,5s)-5-amino-8-guanidino-2-[(4-hydroxyphenyl)methyl]-4-oxo-octanoic acid
Molecular Mass 336.386 g·mol−1
Heat of Formation -659.0 ± 16.7 kJ·mol−1
Dipole Moment 6.47 ± 1.08 D
Volume 418.54 Å 3
Surface Area 371.17 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,5s)-5-amino-8-(diaminomethylideneamino)-2-[(4-hydroxyphenyl)methyl]-4-oxo-octanoic acid
  • (2r,5s)-5-amino-8-(diaminomethylideneamino)-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid
  • (2r,5s)-5-amino-8-guanidino-2-(4-hydroxybenzyl)-4-keto-caprylic acid
  • (2r,5s)-5-amino-8-guanidino-2-[(4-hydroxyphenyl)methyl]-4-oxo-octanoic acid
  • (2r,5s)-5-amino-8-guanidino-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid
InChIKey RRJCLYMGCZJLBQ-YPMHNXCESA-N
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