Valinoctin A

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Properties Simple | Detailed

Formula C13H26N2O4
IUPAC Name (2s)-2-[[(2s,3r)-3-amino-2-hydroxy-octanoyl]amino]-3-methyl-butanoic acid
Molecular Mass 274.357 g·mol−1
Heat of Formation -932.2 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 363.95 Å 3
Surface Area 315.78 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s,3r)-3-amino-2-hydroxy-1-oxooctyl]amino]-3-methylbutanoic acid
  • (2s)-2-[[(2s,3r)-3-amino-2-hydroxy-octanoyl]amino]-3-methyl-butanoic acid
  • (2s)-2-[[(2s,3r)-3-amino-2-hydroxy-octanoyl]amino]-3-methyl-butyric acid
  • (2s)-2-[[(2s,3r)-3-amino-2-hydroxyoctanoyl]amino]-3-methylbutanoic acid
InChIKey OQQQLESSZVHSFL-VWYCJHECSA-N
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