(2S)-1-[(3S)-3-Carboxy-3-{[(3S)-3-Carboxy-3-Hydroxypropyl]Amino}Propyl]-2-Azetidinecarboxylic Acid

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Properties Simple | Detailed

Formula C12H20N2O7
IUPAC Name (1s,2s)-1-[(3s)-3-carboxy-3-[[(3s)-3-carboxy-3-hydroxy-propyl]amino]propyl]azetidine-2-carboxylic acid
Molecular Mass 304.296 g·mol−1
Heat of Formation -1244.1 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 362.22 Å 3
Surface Area 321.67 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(3s)-3-[[(3s)-3,4-dihydroxy-4-keto-butyl]amino]-4-hydroxy-4-keto-butyl]azetidine-2-carboxylic acid
  • (2s)-1-[(3s)-3-[[(3s)-3,4-dihydroxy-4-oxo-butyl]amino]-4-hydroxy-4-oxo-butyl]azetidine-2-carboxylic acid
  • (2s)-1-[(3s)-3-[[(3s)-3,4-dihydroxy-4-oxobutyl]amino]-4-hydroxy-4-oxobutyl]-2-azetidinecarboxylic acid
  • (2s)-1-[(3s)-3-[[(3s)-3,4-dihydroxy-4-oxobutyl]amino]-4-hydroxy-4-oxobutyl]azetidine-2-carboxylic acid
  • (2s)-1-[(3s)-3-carboxy-3-{[(3s)-3-carboxy-3-hydroxypropyl]amino}propyl]azetidine-2-carboxylic acid
  • 1-azetidinebutanoic acid, 2-carboxy-alpha-((3-carboxy-3-hydroxypropyl)amino)-, (2s-(1(alphar*(r*)),2r*))-
  • 2'-deoxymugineic acid
  • 2'-dma
CAS Number(s)
  • 74235-24-8
InChIKey CUZKLRTTYZOCSD-CIUDSAMLSA-N
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