ChemSpider 2D Image | Landiolol | C25H39N3O8

Landiolol

  • Molecular FormulaC25H39N3O8
  • Average mass509.592 Da
  • Monoisotopic mass509.273712 Da
  • ChemSpider ID102855
  • defined stereocentres - 2 of 2 defined stereocentres


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Featured data source



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

((4S)-2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-(4-(((2S)-2-Hydroxy-3-((2-((morpholin-4-ylcarbonyl)amino)ethyl)amino)propyl)oxy)phenyl)propanoate
[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]methyl 3-(4-{[(2S)-2-hydroxy-3-({2-[(morpholin-4-ylcarbonyl)amino]ethyl}amino)propyl]oxy}phenyl)propanoate
[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]methyl 3-{4-[(2S)-2-hydroxy-3-({2-[(4-morpholinylcarbonyl)amino]ethyl}amino)propoxy]phenyl}propanoate [ACD/IUPAC Name]
[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]methyl-3-{4-[(2S)-2-hydroxy-3-({2-[(4-morpholinylcarbonyl)amino]ethyl}amino)propoxy]phenyl}propanoat [German] [ACD/IUPAC Name]
133242-30-5 [RN]
3-{4-[(2S)-2-Hydroxy-3-({2-[(4-morpholinylcarbonyl)amino]éthyl}amino)propoxy]phényl}propanoate de [(4S)-2,2-diméthyl-1,3-dioxolan-4-yl]méthyle [French] [ACD/IUPAC Name]
7516
Benzenepropanoic acid, 4-[(2S)-2-hydroxy-3-[[2-[(4-morpholinylcarbonyl)amino]ethyl]amino]propoxy]-, [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester [ACD/Index Name]
landiolol [French] [INN]
landiolol [Spanish] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

62NWQ924LH [DBID]
ONO 1101 [DBID]
UNII:62NWQ924LH [DBID]
UNII-62NWQ924LH [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 727.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 393.8±32.9 °C
Index of Refraction: 1.531
Molar Refractivity: 131.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 0.80
ACD/LogD (pH 5.5): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.67
Polar Surface Area: 128 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 424.3±3.0 cm3

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