ChemSpider 2D Image | {(2R,4S)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-[(2-methyl-2-propanyl)oxy]-2-pyrrolidinyl}acetic acid | C25H29NO5

{(2R,4S)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-[(2-methyl-2-propanyl)oxy]-2-pyrrolidinyl}acetic acid

  • Molecular FormulaC25H29NO5
  • Average mass423.501 Da
  • Monoisotopic mass423.204559 Da
  • ChemSpider ID114391076

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(2R,4S)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-[(2-methyl-2-propanyl)oxy]-2-pyrrolidinyl}acetic acid [ACD/IUPAC Name]
{(2R,4S)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-[(2-methyl-2-propanyl)oxy]-2-pyrrolidinyl}essigsäure [German] [ACD/IUPAC Name]
2-Pyrrolidineacetic acid, 4-(1,1-dimethylethoxy)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]-, (2R,4S)- [ACD/Index Name]
Acide {(2R,4S)-1-[(9H-fluorén-9-ylméthoxy)carbonyl]-4-[(2-méthyl-2-propanyl)oxy]-2-pyrrolidinyl}acétique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 592.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 312.1±27.3 °C
Index of Refraction: 1.612
Molar Refractivity: 116.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 296.45
ACD/KOC (pH 5.5): 1072.13
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 4.66
ACD/KOC (pH 7.4): 16.85
Polar Surface Area: 76 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 335.4±5.0 cm3

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