ChemSpider 2D Image | Methyl 2-methyl-2-propanyl 2,2'-[(3S)-4-(4-ethynyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)-2-oxo-1,3-piperazinediyl]diacetate | C29H39N3O8

Methyl 2-methyl-2-propanyl 2,2'-[(3S)-4-(4-ethynyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)-2-oxo-1,3-piperazinediyl]diacetate

  • Molecular FormulaC29H39N3O8
  • Average mass557.635 Da
  • Monoisotopic mass557.273743 Da
  • ChemSpider ID8849704

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Piperazinediacetic acid, 4-[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(4-ethynylphenyl)-1-oxopropyl]-2-oxo-, 1-(1,1-dimethylethyl) 3-methyl ester, (3S)- [ACD/Index Name]
2,2'-[(3S)-4-(4-Éthynyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanyl)-2-oxo-1,3-pipérazinediyl]diacétate de méthyle et de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Methyl 2-methyl-2-propanyl 2,2'-[(3S)-4-(4-ethynyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)-2-oxo-1,3-piperazinediyl]diacetate [ACD/IUPAC Name]
Methyl-2-methyl-2-propanyl-2,2'-[(3S)-4-(4-ethinyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)-2-oxo-1,3-piperazindiyl]diacetat [German] [ACD/IUPAC 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: 720.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.3±32.9 °C
Index of Refraction: 1.556
Molar Refractivity: 146.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 305.64
ACD/KOC (pH 5.5): 2091.77
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 305.58
ACD/KOC (pH 7.4): 2091.40
Polar Surface Area: 132 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 454.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement