ChemSpider 2D Image | 5-{(4S)-4-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentyl}-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline | C34H44N2O8

5-{(4S)-4-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentyl}-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline

  • Molecular FormulaC34H44N2O8
  • Average mass608.722 Da
  • Monoisotopic mass608.309753 Da
  • ChemSpider ID9016697

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1,2-Pyrrolidinedicarboxylic acid, 5-[(4S)-5-(1,1-dimethylethoxy)-4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-5-oxopentyl]-, 1-(1,1-dimethylethyl) ester, (2S)- [ACD/Index Name]
5-{(4S)-4-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentyl}-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-prolin [German] [ACD/IUPAC Name]
5-{(4S)-4-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentyl}-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline [ACD/IUPAC Name]
5-{(4S)-4-{[(9H-Fluorén-9-ylméthoxy)carbonyl]amino}-5-[(2-méthyl-2-propanyl)oxy]-5-oxopentyl}-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-proline [French] [ACD/IUPAC 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: 737.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 399.8±32.9 °C
Index of Refraction: 1.557
Molar Refractivity: 162.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 1267.56
ACD/KOC (pH 5.5): 2160.43
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 23.59
ACD/KOC (pH 7.4): 40.20
Polar Surface Area: 131 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 505.9±3.0 cm3

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