ChemSpider 2D Image | 4,4'-[(Tritylphosphoryl)bis(oxymethylene-1H-1,2,3-triazole-4,1-diyl)]dibutanoic acid | C33H35N6O7P

4,4'-[(Tritylphosphoryl)bis(oxymethylene-1H-1,2,3-triazole-4,1-diyl)]dibutanoic acid

  • Molecular FormulaC33H35N6O7P
  • Average mass658.641 Da
  • Monoisotopic mass658.230469 Da
  • ChemSpider ID32766317

More details:

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

1H-1,2,3-Triazole-1-butanoic acid, 4-[[[[[1-(3-carboxypropyl)-1H-1,2,3-triazol-4-yl]methoxy](triphenylmethyl)phosphinyl]oxy]methyl]- [ACD/Index Name]
4,4'-[(Tritylphosphoryl)bis(oxymethylen-1H-1,2,3-triazol-4,1-diyl)]dibutansäure [German] [ACD/IUPAC Name]
4,4'-[(Tritylphosphoryl)bis(oxymethylene-1H-1,2,3-triazole-4,1-diyl)]dibutanoic acid [ACD/IUPAC Name]
Acide 4,4'-[(tritylphosphoryl)bis(oxyméthylène-1H-1,2,3-triazole-4,1-diyl)]dibutanoïque [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 914.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.3±3.0 kJ/mol
Flash Point: 506.8±37.1 °C
Index of Refraction: 1.647
Molar Refractivity: 176.5±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 3.51
ACD/KOC (pH 5.5): 23.18
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 181 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 60.8±7.0 dyne/cm
Molar Volume: 485.6±7.0 cm3

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