ChemSpider 2D Image | O-[(2R)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}propanoyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-threonine | C27H32N2O8

O-[(2R)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}propanoyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-threonine

  • Molecular FormulaC27H32N2O8
  • Average mass512.552 Da
  • Monoisotopic mass512.215881 Da
  • ChemSpider ID9320782

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

L-Threonine, N-[(1,1-dimethylethoxy)carbonyl]-O-[(2R)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1-oxopropyl]- [ACD/Index Name]
O-[(2R)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}propanoyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-threonin [German] [ACD/IUPAC Name]
O-[(2R)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}propanoyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-threonine [ACD/IUPAC Name]
O-[(2R)-2-{[(9H-Fluorén-9-ylméthoxy)carbonyl]amino}propanoyl]-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-thréonine [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: 720.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 389.4±32.9 °C
Index of Refraction: 1.564
Molar Refractivity: 132.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 5.83
ACD/KOC (pH 5.5): 21.16
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.08
Polar Surface Area: 140 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 407.9±3.0 cm3

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