Found 2 results

Search term: RRRJJHOCKYLCQN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-[(2R,8R,9S)-11-[(2R)-1-Hydroxy-2-propanyl]-8-{[(4-methoxybenzyl)(methyl)amino]methyl}-2,9-dimethyl-12-oxo-3,4,5,6,9,10,11,12-octahydro-2H,8H-1,7,11-benzodioxazacyclotetradecin-14-yl]benzamide | C37H49N3O6

N-[(2R,8R,9S)-11-[(2R)-1-Hydroxy-2-propanyl]-8-{[(4-methoxybenzyl)(methyl)amino]methyl}-2,9-dimethyl-12-oxo-3,4,5,6,9,10,11,12-octahydro-2H,8H-1,7,11-benzodioxazacyclotetradecin-14-yl]benzamide

  • Molecular FormulaC37H49N3O6
  • Average mass631.802 Da
  • Monoisotopic mass631.362122 Da
  • ChemSpider ID29401211

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Benzamide, N-[(2R,8R,9S)-3,4,5,6,9,10,11,12-octahydro-11-[(1R)-2-hydroxy-1-methylethyl]-8-[[[(4-methoxyphenyl)methyl]methylamino]methyl]-2,9-dimethyl-12-oxo-2H,8H-1,7,11-benzodioxaazacyclotetradecin-1 4-yl]- [ACD/Index Name]
N-[(2R,8R,9S)-11-[(2R)-1-Hydroxy-2-propanyl]-8-{[(4-methoxybenzyl)(methyl)amino]methyl}-2,9-dimethyl-12-oxo-3,4,5,6,9,10,11,12-octahydro-2H,8H-1,7,11-benzodioxazacyclotetradecin-14-yl]benzamid [German] [ACD/IUPAC Name]
N-[(2R,8R,9S)-11-[(2R)-1-Hydroxy-2-propanyl]-8-{[(4-methoxybenzyl)(methyl)amino]methyl}-2,9-dimethyl-12-oxo-3,4,5,6,9,10,11,12-octahydro-2H,8H-1,7,11-benzodioxazacyclotetradecin-14-yl]benzamide [ACD/IUPAC Name]
N-[(2R,8R,9S)-11-[(2R)-1-Hydroxy-2-propanyl]-8-{[(4-méthoxybenzyl)(méthyl)amino]méthyl}-2,9-diméthyl-12-oxo-3,4,5,6,9,10,11,12-octahydro-2H,8H-1,7,11-benzodioxazacyclotétradécin-14-yl]benzamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 719.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 388.7±32.9 °C
Index of Refraction: 1.558
Molar Refractivity: 181.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 13.07
ACD/KOC (pH 5.5): 46.93
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 665.19
ACD/KOC (pH 7.4): 2388.82
Polar Surface Area: 101 Å2
Polarizability: 71.8±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 562.3±3.0 cm3

Click to predict properties on the Chemicalize site


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