ChemSpider 2D Image | N-[(1S)-1-Carboxy-3-phenylpropyl]-L-alanyl-N-[(2-~2~H)-2,3-dihydro-1H-inden-2-yl](2,2-~2~H_2_)glycine | C24H25D3N2O5

N-[(1S)-1-Carboxy-3-phenylpropyl]-L-alanyl-N-[(2-2H)-2,3-dihydro-1H-inden-2-yl](2,2-2H2)glycine

  • Molecular FormulaC24H25D3N2O5
  • Average mass427.508 Da
  • Monoisotopic mass427.218658 Da
  • ChemSpider ID107445383

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

Glycine-2,2-d2, N-[(1S)-1-carboxy-3-phenylpropyl]-L-alanyl-N-(2,3-dihydro-1H-inden-2-yl-2-d)- [ACD/Index Name]
N-[(1S)-1-Carboxy-3-phenylpropyl]-L-alanyl-N-[(2-2H)-2,3-dihydro-1H-inden-2-yl](2,2-2H2)glycin [German] [ACD/IUPAC Name]
N-[(1S)-1-Carboxy-3-phenylpropyl]-L-alanyl-N-[(2-2H)-2,3-dihydro-1H-inden-2-yl](2,2-2H2)glycine [ACD/IUPAC Name]
N-[(1S)-1-Carboxy-3-phénylpropyl]-L-alanyl-N-[(2-2H)-2,3-dihydro-1H-indén-2-yl](2,2-2H2)glycine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 666.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 356.8±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 115.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 327.7±5.0 cm3

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