Found 386 results

Search term: MF = 'C_{30}H_{39}NO_{6}'
ChemSpider 2D Image | (2E)-4-({3-[3-(Diisopropylamino)-1-phenylpropyl]-4-(isobutyryloxy)benzyl}oxy)-4-oxo-2-butenoic acid | C30H39NO6

(2E)-4-({3-[3-(Diisopropylamino)-1-phenylpropyl]-4-(isobutyryloxy)benzyl}oxy)-4-oxo-2-butenoic acid

  • Molecular FormulaC30H39NO6
  • Average mass509.634 Da
  • Monoisotopic mass509.277740 Da
  • ChemSpider ID115040523

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-({3-[3-(Diisopropylamino)-1-phenylpropyl]-4-(isobutyryloxy)benzyl}oxy)-4-oxo-2-butenoic acid [ACD/IUPAC Name]
(2E)-4-({3-[3-(Diisopropylamino)-1-phenylpropyl]-4-(isobutyryloxy)benzyl}oxy)-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
2-Butenedioic acid, mono[[3-[3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-(2-methyl-1-oxopropoxy)phenyl]methyl] ester, (2E)- [ACD/Index Name]
Acide (2E)-4-({3-[3-(diisopropylamino)-1-phénylpropyl]-4-(isobutyryloxy)benzyl}oxy)-4-oxo-2-buténoïque [French] [ACD/IUPAC Name]
1254942-29-4 [RN]
Fesoterodine Related Impurity 2

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

Density: 1.1±0.1 g/cm3
Boiling Point: 619.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 328.3±31.5 °C
Index of Refraction: 1.545
Molar Refractivity: 143.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 15.06
ACD/KOC (pH 5.5): 47.16
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 15.11
ACD/KOC (pH 7.4): 47.34
Polar Surface Area: 93 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 454.7±3.0 cm3

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