ChemSpider 2D Image | Benzyl [(1s)-1-{[(1s,2s)-1-Ethyl-2-Hydroxy-3-{[3-(4-Methylpiperazin-1-Yl)propyl]amino}-3-Oxopropyl]carbamoyl}-3-Methylbutyl]carbamate | C27H45N5O5

Benzyl [(1s)-1-{[(1s,2s)-1-Ethyl-2-Hydroxy-3-{[3-(4-Methylpiperazin-1-Yl)propyl]amino}-3-Oxopropyl]carbamoyl}-3-Methylbutyl]carbamate

  • Molecular FormulaC27H45N5O5
  • Average mass519.677 Da
  • Monoisotopic mass519.342041 Da
  • ChemSpider ID25058549

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(2S)-1-{[(2S,3S)-2-Hydroxy-1-{[3-(4-méthyl-1-pipérazinyl)propyl]amino}-1-oxo-3-pentanyl]amino}-4-méthyl-1-oxo-2-pentanyl]carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl [(1s)-1-{[(1s,2s)-1-Ethyl-2-Hydroxy-3-{[3-(4-Methylpiperazin-1-Yl)propyl]amino}-3-Oxopropyl]carbamoyl}-3-Methylbutyl]carbamate
Benzyl [(2S)-1-{[(2S,3S)-2-hydroxy-1-{[3-(4-methyl-1-piperazinyl)propyl]amino}-1-oxo-3-pentanyl]amino}-4-methyl-1-oxo-2-pentanyl]carbamate [ACD/IUPAC Name]
Benzyl-[(2S)-1-{[(2S,3S)-2-hydroxy-1-{[3-(4-methyl-1-piperazinyl)propyl]amino}-1-oxo-3-pentanyl]amino}-4-methyl-1-oxo-2-pentanyl]carbamat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 763.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.7±3.0 kJ/mol
Flash Point: 415.7±32.9 °C
Index of Refraction: 1.532
Molar Refractivity: 142.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 2.37
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.42
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 4.89
ACD/KOC (pH 7.4): 73.14
Polar Surface Area: 123 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 461.1±3.0 cm3

Click to predict properties on the Chemicalize site


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