ChemSpider 2D Image | Methyl (4S)-4-{[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-ethylpentanoyl]amino}-5-{[(2S)-1-{[(2S)-1-hydroxy-4-methyl-2-pentanyl]amino}-1-oxo-2-propanyl]amino}-5-oxopentanoate | C30H48N4O8

Methyl (4S)-4-{[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-ethylpentanoyl]amino}-5-{[(2S)-1-{[(2S)-1-hydroxy-4-methyl-2-pentanyl]amino}-1-oxo-2-propanyl]amino}-5-oxopentanoate

  • Molecular FormulaC30H48N4O8
  • Average mass592.724 Da
  • Monoisotopic mass592.347229 Da
  • ChemSpider ID9517295

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4S)-4-{[(2S)-2-{[(Benzyloxy)carbonyl]amino}-2-éthylpentanoyl]amino}-5-{[(2S)-1-{[(2S)-1-hydroxy-4-méthyl-2-pentanyl]amino}-1-oxo-2-propanyl]amino}-5-oxopentanoate de méthyle [French] [ACD/IUPAC Name]
Methyl (4S)-4-{[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-ethylpentanoyl]amino}-5-{[(2S)-1-{[(2S)-1-hydroxy-4-methyl-2-pentanyl]amino}-1-oxo-2-propanyl]amino}-5-oxopentanoate [ACD/IUPAC Name]
Methyl-(4S)-4-{[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-ethylpentanoyl]amino}-5-{[(2S)-1-{[(2S)-1-hydroxy-4-methyl-2-pentanyl]amino}-1-oxo-2-propanyl]amino}-5-oxopentanoat [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: 857.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.5±3.0 kJ/mol
Flash Point: 472.2±34.3 °C
Index of Refraction: 1.518
Molar Refractivity: 157.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 194.77
ACD/KOC (pH 5.5): 1514.15
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 194.66
ACD/KOC (pH 7.4): 1513.26
Polar Surface Area: 172 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 518.0±3.0 cm3

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