ChemSpider 2D Image | 2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({4-[4-(4-{1-[(2S,3S)-2-hydroxy-3-pentanyl]-5-oxo(3-~14~C)-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)-1-piperazinyl]phenoxy}methyl)-1-(1H-1,2,4-triaz ol-1-yl)-D-threo-pentitol | C3614CH42F2N8O4

2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({4-[4-(4-{1-[(2S,3S)-2-hydroxy-3-pentanyl]-5-oxo(3-14C)-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)-1-piperazinyl]phenoxy}methyl)-1-(1H-1,2,4-triaz ol-1-yl)-D-threo-pentitol

  • Molecular FormulaC3614CH42F2N8O4
  • Average mass702.770 Da
  • Monoisotopic mass702.332947 Da
  • ChemSpider ID8708155

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

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-{1-[(2S,3S)-2-hydroxy-3-pentanyl]-5-oxo(3-14C)-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)-1-piperazinyl]phenoxy}methyl)-1-(1H-1,2,4-triaz ol-1-yl)-D-threo-pentitol [ACD/IUPAC Name]
2,5-Anhydro-1,3,4-tridésoxy-2-(2,4-difluorophényl)-4-({4-[4-(4-{1-[(2S,3S)-2-hydroxy-3-pentanyl]-5-oxo(3-14C)-1,5-dihydro-4H-1,2,4-triazol-4-yl}phényl)-1-pipérazinyl]phénoxy}méthyl)-1-(1H-1,2,4-tria zol-1-yl)-D-thréo-pentitol [French] [ACD/IUPAC Name]
2,5-Anhydro-1,3,4-tridesoxy-2-(2,4-difluorphenyl)-4-({4-[4-(4-{1-[(2S,3S)-2-hydroxy-3-pentanyl]-5-oxo(3-14C)-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)-1-piperazinyl]phenoxy}methyl)-1-(1H-1,2,4-triaz ol-1-yl)-D-threo-pentitol [German] [ACD/IUPAC Name]
D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl-3-14C]phenyl]-1-piperazinyl]phenoxy]met hyl]-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.658
Molar Refractivity: 188.6±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
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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