ChemSpider 2D Image | 2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-{[4-(4-{4-[4-(2-hydroxy-3-pentanyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]phenyl}-1-piperazinyl)phenoxy]methyl}-1-(1H-1,2,4-triazol-1-yl)-L-threo- pentitol | C37H42F2N8O4

2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-{[4-(4-{4-[4-(2-hydroxy-3-pentanyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]phenyl}-1-piperazinyl)phenoxy]methyl}-1-(1H-1,2,4-triazol-1-yl)-L-threo- pentitol

  • Molecular FormulaC37H42F2N8O4
  • Average mass700.777 Da
  • Monoisotopic mass700.329712 Da
  • ChemSpider ID77504819

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-{[4-(4-{4-[4-(2-hydroxy-3-pentanyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]phenyl}-1-piperazinyl)phenoxy]methyl}-1-(1H-1,2,4-triazol-1-yl)-L-threo- pentitol [ACD/IUPAC Name]
2,5-Anhydro-1,3,4-tridésoxy-2-(2,4-difluorophényl)-4-{[4-(4-{4-[4-(2-hydroxy-3-pentanyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]phényl}-1-pipérazinyl)phénoxy]méthyl}-1-(1H-1,2,4-triazol-1-yl)-L-thréo -pentitol [French] [ACD/IUPAC Name]
2,5-Anhydro-1,3,4-tridesoxy-2-(2,4-difluorphenyl)-4-{[4-(4-{4-[4-(2-hydroxy-3-pentanyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]phenyl}-1-piperazinyl)phenoxy]methyl}-1-(1H-1,2,4-triazol-1-yl)-L-threo- pentitol [German] [ACD/IUPAC Name]
L-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[4-(1-ethyl-2-hydroxypropyl)-4,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4 -triazol-1-yl)- [ACD/Index 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: 850.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.5±3.0 kJ/mol
Flash Point: 468.3±37.1 °C
Index of Refraction: 1.658
Molar Refractivity: 188.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 2.71
ACD/KOC (pH 5.5): 16.67
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 87.82
ACD/KOC (pH 7.4): 540.61
Polar Surface Area: 112 Å2
Polarizability: 74.8±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 512.0±7.0 cm3

Click to predict properties on the Chemicalize site


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