ChemSpider 2D Image | 2-Methyl-2-propanyl N-[(9H-fluoren-9-ylmethoxy)carbonyl]-beta-fluoro-L-phenylalanyl-L-prolinate | C33H35FN2O5

2-Methyl-2-propanyl N-[(9H-fluoren-9-ylmethoxy)carbonyl]-β-fluoro-L-phenylalanyl-L-prolinate

  • Molecular FormulaC33H35FN2O5
  • Average mass558.640 Da
  • Monoisotopic mass558.252991 Da
  • ChemSpider ID418406

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2-Methyl-2-propanyl N-[(9H-fluoren-9-ylmethoxy)carbonyl]-β-fluoro-L-phenylalanyl-L-prolinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-β-fluor-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanyl-L-prolinat [German] [ACD/IUPAC Name]
L-Proline, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-β-fluoro-L-phenylalanyl-, 1,1-dimethylethyl ester [ACD/Index Name]
N-[(9H-Fluorén-9-ylméthoxy)carbonyl]-β-fluoro-L-phénylalanyl-L-prolinate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Fmoc-[Phe(F)-Pro]-OtBu
Tert-butyl 1-{(2R,3R)-2-[(fluoren-9-ylmethoxy)carbonylamino]-3-fluoro-3-phenylpropanoyl}(2S)pyrrolidine-2-carboxylate

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

AIDS087618 [DBID]
AIDS-087618 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 722.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 391.0±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 151.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.63
ACD/LogD (pH 5.5): 6.71
ACD/BCF (pH 5.5): 74147.45
ACD/KOC (pH 5.5): 106559.15
ACD/LogD (pH 7.4): 6.71
ACD/BCF (pH 7.4): 73957.52
ACD/KOC (pH 7.4): 106286.20
Polar Surface Area: 85 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 451.7±3.0 cm3

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