ChemSpider 2D Image | N-Hydroxy-N'-{4-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-1,3-dioxan-2-yl]benzyl}octanediamide | C31H40N4O6S

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

  • Molecular FormulaC31H40N4O6S
  • Average mass596.737 Da
  • Monoisotopic mass596.266846 Da
  • ChemSpider ID5105237

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

N-Hydroxy-N'-{4-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-1,3-dioxan-2-yl]benzyl}octandiamid [German] [ACD/IUPAC Name]
N-Hydroxy-N'-{4-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-1,3-dioxan-2-yl]benzyl}octanediamide [ACD/IUPAC Name]
N-Hydroxy-N'-{4-[(2R,4S,6R)-4-[4-(hydroxyméthyl)phényl]-6-{[(1-méthyl-1H-imidazol-2-yl)sulfanyl]méthyl}-1,3-dioxan-2-yl]benzyl}octanediamide [French] [ACD/IUPAC Name]
Octanediamide, N1-hydroxy-N8-[[4-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[[(1-methyl-1H-imidazol-2-yl)thio]methyl]-1,3-dioxan-2-yl]phenyl]methyl]- [ACD/Index Name]
DIOX-H_000827

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: 1.627
Molar Refractivity: 162.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 19.97
ACD/KOC (pH 5.5): 262.68
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 30.24
ACD/KOC (pH 7.4): 397.71
Polar Surface Area: 160 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 457.3±7.0 cm3

Click to predict properties on the Chemicalize site


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