Found 51 results

Search term: MF = 'C_{27}H_{31}N_{3}O_{9}'
ChemSpider 2D Image | 2-[(4-{2-Acetamido-3-[(4-carboxybutyl)amino]-3-oxopropyl}-2-ethylphenyl)(carboxycarbonyl)amino]benzoic acid | C27H31N3O9

2-[(4-{2-Acetamido-3-[(4-carboxybutyl)amino]-3-oxopropyl}-2-ethylphenyl)(carboxycarbonyl)amino]benzoic acid

  • Molecular FormulaC27H31N3O9
  • Average mass541.550 Da
  • Monoisotopic mass541.206055 Da
  • ChemSpider ID23148778

More details:

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

2-[(4-{2-Acetamido-3-[(4-carboxybutyl)amino]-3-oxopropyl}-2-ethylphenyl)(carboxycarbonyl)amino]benzoesäure [German] [ACD/IUPAC Name]
2-[(4-{2-Acetamido-3-[(4-carboxybutyl)amino]-3-oxopropyl}-2-ethylphenyl)(carboxycarbonyl)amino]benzoic acid [ACD/IUPAC Name]
Acide 2-[(4-{2-acétamido-3-[(4-carboxybutyl)amino]-3-oxopropyl}-2-éthylphényl)(carboxycarbonyl)amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[4-[2-(acetylamino)-3-[(4-carboxybutyl)amino]-3-oxopropyl]-2-ethylphenyl](carboxycarbonyl)amino]- [ACD/Index Name]
2-({4-[2-Acetylamino-2-(4-carboxy-butylcarbamoyl)-ethyl]-2-ethyl-phenyl}-oxalyl-amino)-benzoic acid
oxalyl-aryl-amino benzoic acid-based inhibitor 8d

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.610
Molar Refractivity: 138.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.45
ACD/LogD (pH 5.5): -3.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 63.9±3.0 dyne/cm
Molar Volume: 399.4±3.0 cm3

Click to predict properties on the Chemicalize site


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