ChemSpider 2D Image | N-Hydroxy-N'-({4'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1,3-dioxan-2-yl]-2-biphenylyl}methyl)octanediamide | C40H44N6O6S

N-Hydroxy-N'-({4'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1,3-dioxan-2-yl]-2-biphenylyl}methyl)octanediamide

  • Molecular FormulaC40H44N6O6S
  • Average mass736.879 Da
  • Monoisotopic mass736.304321 Da
  • ChemSpider ID5110733

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

N-Hydroxy-N'-({4'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1,3-dioxan-2-yl]-2-biphenylyl}methyl)octandiamid [German] [ACD/IUPAC Name]
N-Hydroxy-N'-({4'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1,3-dioxan-2-yl]-2-biphenylyl}methyl)octanediamide [ACD/IUPAC Name]
N-Hydroxy-N'-({4'-[(2S,4R,6S)-4-[4-(hydroxyméthyl)phényl]-6-{[(1-phényl-1H-tétrazol-5-yl)sulfanyl]méthyl}-1,3-dioxan-2-yl]-2-biphénylyl}méthyl)octanediamide [French] [ACD/IUPAC Name]
Octanediamide, N1-hydroxy-N8-[[4'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-[[(1-phenyl-1H-tetrazol-5-yl)thio]methyl]-1,3-dioxan-2-yl][1,1'-biphenyl]-2-yl]methyl]- [ACD/Index Name]
DIOX-H_006323

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.660
Molar Refractivity: 204.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1623.94
ACD/KOC (pH 5.5): 6913.68
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1610.60
ACD/KOC (pH 7.4): 6856.92
Polar Surface Area: 186 Å2
Polarizability: 81.2±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 554.5±7.0 cm3

Click to predict properties on the Chemicalize site


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