ChemSpider 2D Image | N-Hydroxy-N'-{4-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-({methyl[(1R)-1-(2-naphthyl)ethyl]amino}methyl)-1,3-dioxan-2-yl]phenyl}pentanediamide | C36H41N3O6

N-Hydroxy-N'-{4-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-({methyl[(1R)-1-(2-naphthyl)ethyl]amino}methyl)-1,3-dioxan-2-yl]phenyl}pentanediamide

  • Molecular FormulaC36H41N3O6
  • Average mass611.727 Da
  • Monoisotopic mass611.299561 Da
  • ChemSpider ID5107160

  • defined stereocentres - 4 of 4 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-({methyl[(1R)-1-(2-naphthyl)ethyl]amino}methyl)-1,3-dioxan-2-yl]phenyl}pentandiamid [German] [ACD/IUPAC Name]
N-Hydroxy-N'-{4-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-({methyl[(1R)-1-(2-naphthyl)ethyl]amino}methyl)-1,3-dioxan-2-yl]phenyl}pentanediamide [ACD/IUPAC Name]
N-Hydroxy-N'-{4-[(2R,4S,6R)-4-[4-(hydroxyméthyl)phényl]-6-({méthyl[(1R)-1-(2-naphtyl)éthyl]amino}méthyl)-1,3-dioxan-2-yl]phényl}pentanediamide [French] [ACD/IUPAC Name]
Pentanediamide, N1-hydroxy-N5-[4-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[[methyl[(1R)-1-(2-naphthalenyl)ethyl]amino]methyl]-1,3-dioxan-2-yl]phenyl]- [ACD/Index Name]
DIOX-H_002750

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 175.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 3.12
ACD/KOC (pH 5.5): 18.95
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 147.62
ACD/KOC (pH 7.4): 897.80
Polar Surface Area: 120 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 490.2±3.0 cm3

Click to predict properties on the Chemicalize site


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