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Creative Commons Attribution-ShareAlike 3.0 United States Inherent Properties, Identifiers and References
ChemSpider ID: 21105474
Empirical Formula: C27H33N3O5
Molecular Weight: 479.568
Nominal Mass: 479 Da
Average Mass: 479.568 Da
Monoisotopic Mass: 479.242021 Da
Systematic Name:
SMILES: O=C([C@@H]1C(=O)NC(=O)[C@H]1C)[C@@H](NC(=O)C[C@H](NC(=O)\C=C\C=C\​C=C\C)c2ccccc2)C(C)C
InChI:
InChIKey: -
Creative Commons Attribution-ShareAlike 3.0 United States (Details...) Original Reference(s)
Data SourceExternal ID(s)
Antony_WilliamsN/A
(Details...) Predicted Properties
LogP: ACD/LogP: 2.79
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5): ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5): ACD/KOC (pH 7.4):
#H bond acceptors: 8 #H bond donors: 3
#Freely Rotating Bonds: 11 Polar Surface Area: 121.44 Å2
Index of Refraction: 1.552 Molar Refractivity: 132.65 cm3
Molar Volume: 414.9 cm3 Polarizability: 52.59 10-24cm3
Surface Tension: 45.6 dyne/cm Density: 1.155 g/cm3
Flash Point: 234.9 °C Enthalpy of Vaporization: 115.68 kJ/mol
Boiling Point: 795.4 °C at 760 mmHg Vapour Pressure: mmHg at 25°C