ChemSpider 2D Image | Benzyl (2S,4S)-2-({[(9H-fluoren-9-ylmethoxy)carbonyl]amino}methyl)-4-hydroxy-1-pyrrolidinecarboxylate | C28H28N2O5

Benzyl (2S,4S)-2-({[(9H-fluoren-9-ylmethoxy)carbonyl]amino}methyl)-4-hydroxy-1-pyrrolidinecarboxylate

  • Molecular FormulaC28H28N2O5
  • Average mass472.532 Da
  • Monoisotopic mass472.199829 Da
  • ChemSpider ID24609075

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-2-({[(9H-Fluorén-9-ylméthoxy)carbonyl]amino}méthyl)-4-hydroxy-1-pyrrolidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
1234908-56-5 [RN]
1-Pyrrolidinecarboxylic acid, 2-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-4-hydroxy-, phenylmethyl ester, (2S,4S)- [ACD/Index Name]
Benzyl (2S,4S)-2-({[(9H-fluoren-9-ylmethoxy)carbonyl]amino}methyl)-4-hydroxy-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
benzyl (2S,4S)-2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-4-hydroxypyrrolidine-1-carboxylate
Benzyl-(2S,4S)-2-({[(9H-fluoren-9-ylmethoxy)carbonyl]amino}methyl)-4-hydroxy-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(2S,4S)-1-CBZ-4-hydroxy-2-(FMOC-aminomethyl) pyrrolidine
(2S,4S)-1-CBZ-4-hydroxy-2-(FMOC-aminomethyl)pyrrolidine
(2S,4S)-Benzyl 2-(((((9H-fluoren-9-yl)methoxy)carbonyl)amino)methyl)-4-hydroxypyrrolidine-1-carboxylate
(2s,4s)-benzyl 2-((((9h-fluoren-9-yl)methoxy)carbo nylamino)methyl)-4-hydroxypyrrolidine1-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 682.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 366.5±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 130.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 939.77
ACD/KOC (pH 5.5): 4674.00
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 939.74
ACD/KOC (pH 7.4): 4673.86
Polar Surface Area: 88 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 365.8±3.0 cm3

Click to predict properties on the Chemicalize site


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