(2R,3R,4R,5S)-5-Amino-3,4-Dihydroxy-2-Isopropyl-7-Methyloctanoic Acid

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Properties Simple | Detailed

Formula C12H25NO4
IUPAC Name (2r,3r,4r,5s)-5-amino-3,4-dihydroxy-2-isopropyl-7-methyl-octanoic acid
Molecular Mass 247.331 g·mol−1
Heat of Formation -958.5 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 324.64 Å 3
Surface Area 277.81 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 3.87 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5s)-5-amino-3,4-dihydroxy-2-isopropyl-7-methyl-caprylic acid
  • (2r,3r,4r,5s)-5-amino-3,4-dihydroxy-2-isopropyl-7-methyl-octanoic acid
  • (2r,3r,4r,5s)-5-amino-3,4-dihydroxy-7-methyl-2-propan-2-yl-octanoic acid
  • 5-adimoa
  • 5-amino-3,4-dihydroxy-2-isopropyl-7-methyloctanoic acid
  • octanoic acid, 5-amino-3,4-dihydroxy-7-methyl-2-(1-methylethyl)-, (2r-(2r*,3r*,4r*,5s*))-
CAS Number(s)
  • 115857-47-1
InChIKey PWGMWPXTBHYKNG-LNFKQOIKSA-N
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