ChemSpider 2D Image | 4-({3-[Acetyl(hydroxy)amino]propyl}amino)-2-hydroxy-2-[2-({3-[hydroxy(octanoyl)amino]propyl}amino)-2-oxoethyl]-4-oxobutanoic acid | C22H40N4O9

4-({3-[Acetyl(hydroxy)amino]propyl}amino)-2-hydroxy-2-[2-({3-[hydroxy(octanoyl)amino]propyl}amino)-2-oxoethyl]-4-oxobutanoic acid

  • Molecular FormulaC22H40N4O9
  • Average mass504.574 Da
  • Monoisotopic mass504.279541 Da
  • ChemSpider ID10481006

More details:

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

4-({3-[Acetyl(hydroxy)amino]propyl}amino)-2-hydroxy-2-[2-({3-[hydroxy(octanoyl)amino]propyl}amino)-2-oxoethyl]-4-oxobutanoic acid [ACD/IUPAC Name]
4-({3-[Acetyl(hydroxy)amino]propyl}amino)-2-hydroxy-2-[2-({3-[hydroxy(octanoyl)amino]propyl}amino)-2-oxoethyl]-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-({3-[acétyl(hydroxy)amino]propyl}amino)-2-hydroxy-2-[2-({3-[hydroxy(octanoyl)amino]propyl}amino)-2-oxoéthyl]-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[3-(acetylhydroxyamino)propyl]amino]-2-hydroxy-2-[2-[[3-[hydroxy(1-oxooctyl)amino]propyl]amino]-2-oxoethyl]-4-oxo- [ACD/Index Name]
synechobactin C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.537
Molar Refractivity: 124.9±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 0.27
ACD/LogD (pH 5.5): -2.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 197 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 399.5±3.0 cm3

Click to predict properties on the Chemicalize site


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