ChemSpider 2D Image | 5-{(3-Phenoxybenzyl)[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]carbamoyl}-1,2,4-benzenetricarboxylic acid | C33H27NO8

5-{(3-Phenoxybenzyl)[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]carbamoyl}-1,2,4-benzenetricarboxylic acid

  • Molecular FormulaC33H27NO8
  • Average mass565.569 Da
  • Monoisotopic mass565.173645 Da
  • ChemSpider ID8069825

  • 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-[[[(3-phenoxyphenyl)methyl][(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]amino]carbonyl]- [ACD/Index Name]
5-{(3-Phenoxybenzyl)[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]carbamoyl}-1,2,4-benzenetricarboxylic acid [ACD/IUPAC Name]
5-{(3-Phenoxybenzyl)[(1R)-1,2,3,4-tetrahydro-1-naphthalinyl]carbamoyl}-1,2,4-benzoltricarbonsäure [German] [ACD/IUPAC Name]
Acide 5-{(3-phénoxybenzyl)[(1R)-1,2,3,4-tétrahydro-1-naphtalényl]carbamoyl}-1,2,4-benzènetricarboxylique [French] [ACD/IUPAC Name]
A-317344

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

Density: 1.5±0.1 g/cm3
Boiling Point: 840.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.0±3.0 kJ/mol
Flash Point: 462.0±34.3 °C
Index of Refraction: 1.713
Molar Refractivity: 151.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.71
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 83.0±5.0 dyne/cm
Molar Volume: 385.5±5.0 cm3

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