ChemSpider 2D Image | Benzyl D-phenylalanyl-L-phenylalanylglycinate | C27H29N3O4

Benzyl D-phenylalanyl-L-phenylalanylglycinate

  • Molecular FormulaC27H29N3O4
  • Average mass459.537 Da
  • Monoisotopic mass459.215820 Da
  • ChemSpider ID95636837

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzyl D-phenylalanyl-L-phenylalanylglycinate [ACD/IUPAC Name]
BenzylD-phenylalanyl-L-phenylalanylglycinat [German] [ACD/IUPAC Name]
D-Phénylalanyl-L-phénylalanylglycinate de benzyle [French] [ACD/IUPAC Name]
Glycine, D-phenylalanyl-L-phenylalanyl-, phenylmethyl ester [ACD/Index 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: 731.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 396.3±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 129.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 8.09
ACD/KOC (pH 5.5): 74.22
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 94.18
ACD/KOC (pH 7.4): 863.74
Polar Surface Area: 111 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 379.0±3.0 cm3

Click to predict properties on the Chemicalize site


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