ChemSpider 2D Image | 5-{[(4'-Methoxy-4-biphenylyl)methyl][(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]carbamoyl}-1,2,4-benzenetricarboxylic acid | C34H29NO8

5-{[(4'-Methoxy-4-biphenylyl)methyl][(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]carbamoyl}-1,2,4-benzenetricarboxylic acid

  • Molecular FormulaC34H29NO8
  • Average mass579.596 Da
  • Monoisotopic mass579.189331 Da
  • ChemSpider ID8342580

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2,4-Benzenetricarboxylic acid, 5-[[[(4'-methoxy[1,1'-biphenyl]-4-yl)methyl][(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]amino]carbonyl]- [ACD/Index Name]
5-{[(4'-Methoxy-4-biphenylyl)methyl][(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]carbamoyl}-1,2,4-benzenetricarboxylic acid [ACD/IUPAC Name]
5-{[(4'-Methoxy-4-biphenylyl)methyl][(1S)-1,2,3,4-tetrahydro-1-naphthalinyl]carbamoyl}-1,2,4-benzoltricarbonsäure [German] [ACD/IUPAC Name]
5-{[(4'-methoxybiphenyl-4-yl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid
Acide 5-{[(4'-méthoxy-4-biphénylyl)méthyl][(1S)-1,2,3,4-tétrahydro-1-naphtalényl]carbamoyl}-1,2,4-benzènetricarboxylique [French] [ACD/IUPAC Name]
XIG

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

Density: 1.4±0.1 g/cm3
Boiling Point: 863.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.5±3.0 kJ/mol
Flash Point: 476.0±34.3 °C
Index of Refraction: 1.704
Molar Refractivity: 155.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.07
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 80.6±5.0 dyne/cm
Molar Volume: 401.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement