ChemSpider 2D Image | Aerobactin | C22H36N4O13

Aerobactin

  • Molecular FormulaC22H36N4O13
  • Average mass564.540 Da
  • Monoisotopic mass564.227905 Da
  • ChemSpider ID110318
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(8S,16S)-3,12,21-Trihydroxy-2,10,14,22-tetraoxo-3,9,15,21-tetraazatricosan-8,12,16-tricarbonsäure [German] [ACD/IUPAC Name]
(8S,16S)-3,12,21-Trihydroxy-2,10,14,22-tetraoxo-3,9,15,21-tetraazatricosane-8,12,16-tricarboxylic acid [ACD/IUPAC Name]
Acide (8S,16S)-3,12,21-trihydroxy-2,10,14,22-tétraoxo-3,9,15,21-tétraazatricosane-8,12,16-tricarboxylique [French] [ACD/IUPAC Name]
Aerobactin [Wiki]
(2S)-2-[3-carboxy-3-({[(1S)-1-carboxy-5-(N-hydroxyacetamido)pentyl]carbamoyl}methyl)-3-hydroxypropanamido]-6-(N-hydroxyacetamido)hexanoic acid
26198-65-2 [RN]
3,9,15,21-Tetraazatricosane-8,12,16-tricarboxylic acid, 3,12,21-trihydroxy-2,10,14,22-tetraoxo-, (S-(R*,R*))-
3,9,15,21-Tetraazatricosane-8,12,16-tricarboxylic acid, 3,12,21-trihydroxy-2,10,14,22-tetraoxo-, [S-(R*,R*)]-
Ferric-aerobactin
N(2),N(2)'-(3-carboxy-3-hydroxypentanedioyl)bis(N(6)-acetyl-N(6)-hydroxy-L-lysine)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C05554 [DBID]
CHEBI:18157 [DBID]
nchembio.2007.23-comp14 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.571
Molar Refractivity: 127.9±0.3 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -2.95
ACD/LogD (pH 5.5): -8.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 271 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 73.5±3.0 dyne/cm
Molar Volume: 389.5±3.0 cm3

Click to predict properties on the Chemicalize site


Feedback Form