ChemSpider 2D Image | 4-Butyl-7-methyl-2-oxo-2H-chromen-5-yl 5-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-norleucinate | C26H37NO6

4-Butyl-7-methyl-2-oxo-2H-chromen-5-yl 5-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-norleucinate

  • Molecular FormulaC26H37NO6
  • Average mass459.575 Da
  • Monoisotopic mass459.262085 Da
  • ChemSpider ID71292010

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Butyl-7-methyl-2-oxo-2H-chromen-5-yl 5-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-norleucinate [ACD/IUPAC Name]
4-Butyl-7-methyl-2-oxo-2H-chromen-5-yl-5-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-norleucinat [German] [ACD/IUPAC Name]
5-Méthyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-D-norleucinate de 4-butyl-7-méthyl-2-oxo-2H-chromén-5-yle [French] [ACD/IUPAC Name]
D-Norleucine, N-[(1,1-dimethylethoxy)carbonyl]-5-methyl-, 4-butyl-7-methyl-2-oxo-2H-1-benzopyran-5-yl ester [ACD/Index 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: 598.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.5±30.1 °C
Index of Refraction: 1.516
Molar Refractivity: 126.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 7.14
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19444.16
ACD/KOC (pH 5.5): 40879.09
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 19438.72
ACD/KOC (pH 7.4): 40867.64
Polar Surface Area: 91 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 417.7±3.0 cm3

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