Found 131 results

Search term: C36H41N3O6 (Found by molecular formula)
ChemSpider 2D Image | 1-Benzyl-3-(4-{(2R,4R,6S)-4-({[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl](methyl)amino}methyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}benzyl)urea | C36H41N3O6

1-Benzyl-3-(4-{(2R,4R,6S)-4-({[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl](methyl)amino}methyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}benzyl)urea

  • Molecular FormulaC36H41N3O6
  • Average mass611.727 Da
  • Monoisotopic mass611.299561 Da
  • ChemSpider ID5135106

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-Benzyl-3-(4-{(2R,4R,6S)-4-({[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl](methyl)amino}methyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}benzyl)harnstoff [German] [ACD/IUPAC Name]
1-Benzyl-3-(4-{(2R,4R,6S)-4-({[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl](methyl)amino}methyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}benzyl)urea [ACD/IUPAC Name]
1-Benzyl-3-(4-{(2R,4R,6S)-4-({[(2S)-2-hydroxy-2-(3-hydroxyphényl)éthyl](méthyl)amino}méthyl)-6-[4-(hydroxyméthyl)phényl]-1,3-dioxan-2-yl}benzyl)urée [French] [ACD/IUPAC Name]
Urea, N-[[4-[(2R,4R,6S)-4-[[[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]methylamino]methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]methyl]-N'-(phenylmethyl)- [ACD/Index Name]

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

DIOX2_021896 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 875.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.3±3.0 kJ/mol
Flash Point: 483.4±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 173.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 4.46
ACD/KOC (pH 5.5): 26.71
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 195.23
ACD/KOC (pH 7.4): 1168.24
Polar Surface Area: 124 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 490.7±3.0 cm3

Click to predict properties on the Chemicalize site


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