ChemSpider 2D Image | 3-{4-[({N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-(2-methyl-2-propanyl)-L-seryl}oxy)methyl]phenoxy}propanoic acid | C32H35NO8

3-{4-[({N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-(2-methyl-2-propanyl)-L-seryl}oxy)methyl]phenoxy}propanoic acid

  • Molecular FormulaC32H35NO8
  • Average mass561.622 Da
  • Monoisotopic mass561.236267 Da
  • ChemSpider ID113619279

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-{4-[({N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-(2-methyl-2-propanyl)-L-seryl}oxy)methyl]phenoxy}propanoic acid [ACD/IUPAC Name]
3-{4-[({N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-(2-methyl-2-propanyl)-L-seryl}oxy)methyl]phenoxy}propansäure [German] [ACD/IUPAC Name]
Acide 3-{4-[({N-[(9H-fluorén-9-ylméthoxy)carbonyl]-O-(2-méthyl-2-propanyl)-L-séryl}oxy)méthyl]phénoxy}propanoïque [French] [ACD/IUPAC Name]
L-Serine, O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, [4-(2-carboxyethoxy)phenyl]methyl ester [ACD/Index 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: 740.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 401.4±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 151.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 1748.74
ACD/KOC (pH 5.5): 3039.19
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 29.66
ACD/KOC (pH 7.4): 51.54
Polar Surface Area: 120 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 452.9±3.0 cm3

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