ChemSpider 2D Image | Benzyl 5-({1-[(1-amino-3-methyl-1-oxo-2-pentanyl)amino]-3-methyl-1-oxo-2-pentanyl}amino)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoate | C29H46N4O7

Benzyl 5-({1-[(1-amino-3-methyl-1-oxo-2-pentanyl)amino]-3-methyl-1-oxo-2-pentanyl}amino)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoate

  • Molecular FormulaC29H46N4O7
  • Average mass562.698 Da
  • Monoisotopic mass562.336670 Da
  • ChemSpider ID2357698

More details:

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

5-({1-[(1-Amino-3-méthyl-1-oxo-2-pentanyl)amino]-3-méthyl-1-oxo-2-pentanyl}amino)-4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoate de benzyle [French] [ACD/IUPAC Name]
Benzyl 5-({1-[(1-amino-3-methyl-1-oxo-2-pentanyl)amino]-3-methyl-1-oxo-2-pentanyl}amino)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoate [ACD/IUPAC Name]
Benzyl-5-({1-[(1-amino-3-methyl-1-oxo-2-pentanyl)amino]-3-methyl-1-oxo-2-pentanyl}amino)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoat [German] [ACD/IUPAC Name]

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

BAS 00380312 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 799.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 437.4±32.9 °C
Index of Refraction: 1.516
Molar Refractivity: 150.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 227.76
ACD/KOC (pH 5.5): 1694.66
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 227.66
ACD/KOC (pH 7.4): 1693.96
Polar Surface Area: 166 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 499.3±3.0 cm3

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