Nicotianamine

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Properties Simple | Detailed

Formula C12H21N3O6
IUPAC Name (1s,2s)-1-[(3s)-3-[[(3s)-3-amino-3-carboxy-propyl]amino]-3-carboxy-propyl]azetidine-2-carboxylic acid
Molecular Mass 303.312 g·mol−1
Heat of Formation -1073.3 ± 16.7 kJ·mol−1
Dipole Moment 2.86 ± 1.08 D
Volume 363.9 Å 3
Surface Area 331.57 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy 0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(3s)-3-[[(3s)-3-amino-4-hydroxy-4-keto-butyl]amino]-4-hydroxy-4-keto-butyl]azetidine-2-carboxylic acid
  • (2s)-1-[(3s)-3-[[(3s)-3-amino-4-hydroxy-4-oxo-butyl]amino]-4-hydroxy-4-oxo-butyl]azetidine-2-carboxylic acid
  • (2s)-1-[(3s)-3-[[(3s)-3-amino-4-hydroxy-4-oxobutyl]amino]-4-hydroxy-4-oxobutyl]-2-azetidinecarboxylic acid
  • (2s)-1-[(3s)-3-[[(3s)-3-amino-4-hydroxy-4-oxobutyl]amino]-4-hydroxy-4-oxobutyl]azetidine-2-carboxylic acid
  • (2s)-1-[(3s)-3-{[(3s)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]azetidine-2-carboxylic acid
  • (s,s,s)-nicotianamine
CAS Number(s)
  • 34441-14-0
InChIKey KRGPXXHMOXVMMM-CIUDSAMLSA-N
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