ChemSpider 2D Image | 4-{[(2S)-1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid | C24H31NO6

4-{[(2S)-1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid

  • Molecular FormulaC24H31NO6
  • Average mass429.506 Da
  • Monoisotopic mass429.215149 Da
  • ChemSpider ID34991104

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{[(2S)-1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid [ACD/IUPAC Name]
4-{[(2S)-1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-{[(2S)-1-(diméthylamino)-3-{2-[2-(3-méthoxyphényl)éthyl]phénoxy}-2-propanyl]oxy}-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[(1S)-2-(dimethylamino)-1-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]ethyl] ester [ACD/Index Name]
125926-17-2 [RN]
Sarpogrelate [INN]
UNII-19P708E787

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

Density: 1.2±0.1 g/cm3
Boiling Point: 585.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 308.1±30.1 °C
Index of Refraction: 1.551
Molar Refractivity: 117.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 1.61
ACD/KOC (pH 5.5): 9.55
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 1.45
ACD/KOC (pH 7.4): 8.57
Polar Surface Area: 85 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 368.7±3.0 cm3

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