Molecular Structure of Benzyl 4-oxo-2-(S)-[[(phenylmethoxy)carbonyl]amino]butanoate (CAS No.58578-45-3):
 
Molecular Formula: C₁₉H₁₉NO₅
Molecular Weight: 341.3579
CAS No: 58578-45-3
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 10
Polar Surface Area: 72.91 Å²
Index of Refraction: 1.564
Molar Refractivity: 90.74 cm³
Molar Volume: 278.9 cm³
Surface Tension: 49.1 dyne/cm
Density: 1.223 g/cm³
Flash Point: 276.8 °C
Enthalpy of Vaporization: 81.03 kJ/mol
Boiling Point: 534.1 °C at 760 mmHg
Vapour Pressure: 1.74E-11 mmHg at 25°C
InChI: InChI=1/C₁₉H₁₉NO₅/c21-12-11-17(18(22)24-13-15-7-3-1-4-8-15)20-19(23)25-14-16-9-5-2-6-10-16/h1-10,12,17H,11,13-14H2,(H,20,23)
InChIKey: DXBNGOWOMMHJKK-UHFFFAOYAT
Std. InChI: InChI=1S/C₁₉H₁₉NO₅/c21-12-11-17(18(22)24-13-15-7-3-1-4-8-15)20-19(23)25-14-16-9-5-2-6-10-16/h1-10,12,17H,11,13-14H2,(H,20,23)
Std. InChIKey: DXBNGOWOMMHJKK-UHFFFAOYSA-N
Systematic Name: Benzyl 2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoate

   Benzyl 4-oxo-2-(S)-[[(phenylmethoxy)carbonyl]amino]butanoate (CAS No.58578-45-3), its synonyms are (S)-4-Oxo-2-[[(phenylmethoxy)carbonyl]amino]butanoic acid phenylmethyl ester ; Benzyl 2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoate ; Butanoic acid, 4-oxo-2-[[(phenylmethoxy)carbonyl]amino]-, phenylmethyl ester .