ChemSpider 2D Image | N-(4-{(2S,4S,6R)-4-{[Allyl(cyclopentyl)amino]methyl}-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}phenyl)-N'-(2-aminophenyl)pentanediamide | C37H46N4O5

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

  • Molecular FormulaC37H46N4O5
  • Average mass626.785 Da
  • Monoisotopic mass626.346802 Da
  • ChemSpider ID5109249

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

N-(4-{(2S,4S,6R)-4-{[Allyl(cyclopentyl)amino]methyl}-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}phenyl)-N'-(2-aminophenyl)pentandiamid [German] [ACD/IUPAC Name]
N-(4-{(2S,4S,6R)-4-{[Allyl(cyclopentyl)amino]methyl}-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}phenyl)-N'-(2-aminophenyl)pentanediamide [ACD/IUPAC Name]
N-(4-{(2S,4S,6R)-4-{[Allyl(cyclopentyl)amino]méthyl}-6-[4-(hydroxyméthyl)phényl]-1,3-dioxan-2-yl}phényl)-N'-(2-aminophényl)pentanediamide [French] [ACD/IUPAC Name]
Pentanediamide, N1-(2-aminophenyl)-N5-[4-[(2S,4S,6R)-4-[(cyclopentyl-2-propen-1-ylamino)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]- [ACD/Index Name]
DIOX-H_004839

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

Density: 1.2±0.1 g/cm3
Boiling Point: 879.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.0±3.0 kJ/mol
Flash Point: 485.9±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 179.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 3.51
ACD/KOC (pH 5.5): 18.27
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 193.67
ACD/KOC (pH 7.4): 1009.41
Polar Surface Area: 126 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 503.3±5.0 cm3

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