ChemSpider 2D Image | 5-[(1-Carboxyheptyl)(1,3-diethoxy-1,3-dioxo-2-propanyl)amino]-2-hydroxybenzoic acid | C22H31NO9

5-[(1-Carboxyheptyl)(1,3-diethoxy-1,3-dioxo-2-propanyl)amino]-2-hydroxybenzoic acid

  • Molecular FormulaC22H31NO9
  • Average mass453.483 Da
  • Monoisotopic mass453.199890 Da
  • ChemSpider ID108616805

More details:

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

5-[(1-Carboxyheptyl)(1,3-diethoxy-1,3-dioxo-2-propanyl)amino]-2-hydroxybenzoesäure [German] [ACD/IUPAC Name]
5-[(1-Carboxyheptyl)(1,3-diethoxy-1,3-dioxo-2-propanyl)amino]-2-hydroxybenzoic acid [ACD/IUPAC Name]
Acide 5-[(1-carboxyheptyl)(1,3-diéthoxy-1,3-dioxo-2-propanyl)amino]-2-hydroxybenzoïque [French] [ACD/IUPAC Name]
Propanedioic acid, 2-[(1-carboxyheptyl)(3-carboxy-4-hydroxyphenyl)amino]-, 1,3-diethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 645.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 344.2±31.5 °C
Index of Refraction: 1.559
Molar Refractivity: 114.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 355.3±3.0 cm3

Click to predict properties on the Chemicalize site


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