Found 10 results

Search term: MF = 'C_{42}H_{57}NO_{3}'
ChemSpider 2D Image | 4-{28-[(3-Furylmethyl)amino]lupa-2,20(29)-dien-3-yl}benzoic acid | C42H57NO3

4-{28-[(3-Furylmethyl)amino]lupa-2,20(29)-dien-3-yl}benzoic acid

  • Molecular FormulaC42H57NO3
  • Average mass623.907 Da
  • Monoisotopic mass623.433838 Da
  • ChemSpider ID34527041

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

4-{28-[(3-Furylmethyl)amino]lupa-2,20(29)-dien-3-yl}benzoesäure [German] [ACD/IUPAC Name]
4-{28-[(3-Furylmethyl)amino]lupa-2,20(29)-dien-3-yl}benzoic acid [ACD/IUPAC Name]
Acide 4-{28-[(3-furylméthyl)amino]lupa-2,20(29)-dién-3-yl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[28-[(3-furanylmethyl)amino]lupa-2,20(29)-dien-3-yl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 679.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 364.6±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 186.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 12.90
ACD/LogD (pH 5.5): 9.18
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 166653.39
ACD/LogD (pH 7.4): 9.20
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 174389.34
Polar Surface Area: 62 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 577.4±3.0 cm3

Click to predict properties on the Chemicalize site


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