ChemSpider 2D Image | tert-Butyl 2-([4-(2,6-ditert-butyl-4-methoxyphenoxy)-3-nitro-4-oxobutyl]amino)-4-methylpentanoate | C29H48N2O7

tert-Butyl 2-([4-(2,6-ditert-butyl-4-methoxyphenoxy)-3-nitro-4-oxobutyl]amino)-4-methylpentanoate

  • Molecular FormulaC29H48N2O7
  • Average mass536.701 Da
  • Monoisotopic mass536.346130 Da
  • ChemSpider ID551044

More details:

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

2-Methyl-2-propanyl N-{4-[4-methoxy-2,6-bis(2-methyl-2-propanyl)phenoxy]-3-nitro-4-oxobutyl}leucinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-{4-[4-methoxy-2,6-bis(2-methyl-2-propanyl)phenoxy]-3-nitro-4-oxobutyl}leucinat [German] [ACD/IUPAC Name]
Leucine, N-[4-[2,6-bis(1,1-dimethylethyl)-4-methoxyphenoxy]-3-nitro-4-oxobutyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-{4-[4-Méthoxy-2,6-bis(2-méthyl-2-propanyl)phénoxy]-3-nitro-4-oxobutyl}leucinate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 2-([4-(2,6-ditert-butyl-4-methoxyphenoxy)-3-nitro-4-oxobutyl]amino)-4-methylpentanoate
l-Leucine, N-[4-[2,6-bis(1,1-dimethylethyl)-4-methoxyphenoxy]-3-nitro-4-oxobutyl]-, 1,1-dimethylethyl ester, (s)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 602.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.3±31.5 °C
Index of Refraction: 1.493
Molar Refractivity: 147.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 8.53
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 1985.36
ACD/KOC (pH 5.5): 2161.67
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 1498.38
ACD/KOC (pH 7.4): 1631.44
Polar Surface Area: 120 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 508.8±3.0 cm3

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