ChemSpider 2D Image | MFCD03939708 | C23H28N2O5

MFCD03939708

  • Molecular FormulaC23H28N2O5
  • Average mass412.479 Da
  • Monoisotopic mass412.199829 Da
  • ChemSpider ID22903293

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

L-Phenylalanine, N-[(phenylmethoxy)carbonyl]-D-isoleucyl- [ACD/Index Name]
MFCD03939708
N-[(Benzyloxy)carbonyl]-D-isoleucyl-L-phenylalanin [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-D-isoleucyl-L-phenylalanine [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-D-isoleucyl-L-phénylalanine [French] [ACD/IUPAC Name]
(2S)-2-[((2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoyl)amino]-3-phenylpropanoic acid
CARBOBENZYLOXY-L-ISOLEUCYL-L-PHENYLALANINE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 654.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 349.9±31.5 °C
Index of Refraction: 1.564
Molar Refractivity: 112.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 1.18
ACD/KOC (pH 5.5): 8.58
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 345.5±3.0 cm3

Click to predict properties on the Chemicalize site


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