ChemSpider 2D Image | LSM-11591 | C34H39N3O4

LSM-11591

  • Molecular FormulaC34H39N3O4
  • Average mass553.691 Da
  • Monoisotopic mass553.294067 Da
  • ChemSpider ID29405903
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

Benzeneacetamide, N-[[(7R,8S)-7,8,9,10,11,12-hexahydro-10-[(1R)-2-hydroxy-1-methylethyl]-8,12-dimethyl-11-oxo-5H-indolo[2,3-h][2,6]benzoxaazacycloundecin-7-yl]methyl]-N-methyl- [ACD/Index Name]
LSM-11591
N-({(7R,8S)-10-[(2R)-1-Hydroxy-2-propanyl]-8,12-dimethyl-11-oxo-7,8,9,10,11,12-hexahydro-5H-indolo[2,3-h][2,6]benzoxazacycloundecin-7-yl}methyl)-N-methyl-2-phenylacetamid [German] [ACD/IUPAC Name]
N-({(7R,8S)-10-[(2R)-1-Hydroxy-2-propanyl]-8,12-dimethyl-11-oxo-7,8,9,10,11,12-hexahydro-5H-indolo[2,3-h][2,6]benzoxazacycloundecin-7-yl}methyl)-N-methyl-2-phenylacetamide [ACD/IUPAC Name]
N-({(7R,8S)-10-[(2R)-1-Hydroxy-2-propanyl]-8,12-diméthyl-11-oxo-7,8,9,10,11,12-hexahydro-5H-indolo[2,3-h][2,6]benzoxazacycloundécin-7-yl}méthyl)-N-méthyl-2-phénylacétamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 786.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 429.4±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 161.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4614.14
ACD/KOC (pH 5.5): 14599.87
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4614.15
ACD/KOC (pH 7.4): 14599.89
Polar Surface Area: 75 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 45.1±7.0 dyne/cm
Molar Volume: 463.7±7.0 cm3

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