ChemSpider 2D Image | ABT-518 | C21H22F3NO8S

ABT-518

  • Molecular FormulaC21H22F3NO8S
  • Average mass505.461 Da
  • Monoisotopic mass505.101807 Da
  • ChemSpider ID8003239

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

286845-00-9 [RN]
7S00622N3Z
ABT-518
Formamide, N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl]ethyl]-N-hydroxy- [ACD/Index Name]
N-[(1S)-1-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2-({4-[4-(trifluormethoxy)phenoxy]phenyl}sulfonyl)ethyl]-N-hydroxyformamid [German] [ACD/IUPAC Name]
N-[(1S)-1-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2-({4-[4-(trifluoromethoxy)phenoxy]phenyl}sulfonyl)ethyl]-N-hydroxyformamide [ACD/IUPAC Name]
N-[(1S)-1-[(4S)-2,2-Diméthyl-1,3-dioxolan-4-yl]-2-({4-[4-(trifluorométhoxy)phénoxy]phényl}sulfonyl)éthyl]-N-hydroxyformamide [French] [ACD/IUPAC Name]
N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylethyl]-N-hydroxyformamide
N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-ethyl]-N-hydroxy-formamide
N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-ethyl]-N-hydroxy-methanamide
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 606.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 320.4±34.3 °C
Index of Refraction: 1.539
Molar Refractivity: 113.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 71.87
ACD/KOC (pH 5.5): 740.20
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 41.10
ACD/KOC (pH 7.4): 423.28
Polar Surface Area: 120 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 360.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement