ChemSpider 2D Image | Asperphenamate | C32H30N2O4

Asperphenamate

  • Molecular FormulaC32H30N2O4
  • Average mass506.592 Da
  • Monoisotopic mass506.220551 Da
  • ChemSpider ID151810

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-(Benzoylamino)-3-phenylpropyl N-benzoyl-L-phenylalaninate [ACD/IUPAC Name]
(2S)-2-(Benzoylamino)-3-phenylpropyl-N-benzoyl-L-phenylalaninat [German] [ACD/IUPAC Name]
63631-36-7 [RN]
Asperphenamate
L-Phenylalanine, N-benzoyl-, (2S)-2-(benzoylamino)-3-phenylpropyl ester [ACD/Index Name]
N-Benzoyl-L-phénylalaninate de (2S)-2-(benzoylamino)-3-phénylpropyle [French] [ACD/IUPAC Name]
(2S)-2-benzamido-3-phenylpropyl (2S)-2-benzamido-3-phenylpropanoate
(2S)-2-benzamido-3-phenylpropyl N-benzoyl-L-phenylalaninate
[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate
100900-19-4 [RN]
More...
  • Miscellaneous

    • Chemical Class:

      A carboxylic ester resulting from the formal condensation of the carboxy group of N-benzoyl-L-phenylalanine with the hydroxy group of N-benzoyl-L-phenylalaninol. A metabolite found in several Pencilli um and Aspergillus species, as well as in plants as a product of endophytic fungi. ChEBI CHEBI:145105

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

Density: 1.2±0.1 g/cm3
Boiling Point: 774.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 422.1±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 146.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 13012.69
ACD/KOC (pH 5.5): 30665.66
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 13012.66
ACD/KOC (pH 7.4): 30665.60
Polar Surface Area: 85 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 422.7±3.0 cm3

Click to predict properties on the Chemicalize site


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