ChemSpider 2D Image | N-Hydroxy-N'-({3'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-{[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl}-1,3-dioxan-2-yl]-3-biphenylyl}methyl)heptanediamide | C41H54N4O6

N-Hydroxy-N'-({3'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-{[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl}-1,3-dioxan-2-yl]-3-biphenylyl}methyl)heptanediamide

  • Molecular FormulaC41H54N4O6
  • Average mass698.891 Da
  • Monoisotopic mass698.404358 Da
  • ChemSpider ID5109950

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Heptanediamide, N1-hydroxy-N7-[[3'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-[[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl]-1,3-dioxan-2-yl][1,1'-biphenyl]-3-yl]methyl]- [ACD/Index Name]
N-Hydroxy-N'-({3'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-{[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl}-1,3-dioxan-2-yl]-3-biphenylyl}methyl)heptandiamid [German] [ACD/IUPAC Name]
N-Hydroxy-N'-({3'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-{[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl}-1,3-dioxan-2-yl]-3-biphenylyl}methyl)heptanediamide [ACD/IUPAC Name]
N-Hydroxy-N'-({3'-[(2S,4R,6S)-4-[4-(hydroxyméthyl)phényl]-6-{[(2S)-2-(1-pyrrolidinylméthyl)-1-pyrrolidinyl]méthyl}-1,3-dioxan-2-yl]-3-biphénylyl}méthyl)heptanediamide [French] [ACD/IUPAC Name]
DIOX-H_005540

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: 1.590
Molar Refractivity: 197.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 3.65
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 1.92
ACD/KOC (pH 7.4): 13.48
Polar Surface Area: 124 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 584.0±3.0 cm3

Click to predict properties on the Chemicalize site


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