Basic information
- Name:
N-Carbobenzyloxy-D-serine β-Lactone
- Superlist Name:
- (R)-(2-Oxo-3-oxetanyl)carbamic acid benzyl ester
- CAS No.:
98632-91-8
- Molecular Structure:
- Formula:
- C11H11NO4
- Molecular Weight:
- 221.2093
- Density:
- 1.31 g/cm3
- Boiling Point:
- 425.5 °C at 760 mmHg
- Flash Point:
- 211.1 °C
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Specification
The N-Carbobenzyloxy-D-serine β-Lactone, with the CAS registry number 98632-91-8, is also known as Carbamic acid, N-(2-oxo-3-oxetanyl)-, phenylmethyl ester. This chemical's molecular formula is C11H11NO4 and molecular weight is 221.2093. Its systematic name is called benzyl (2-oxooxetan-3-yl)carbamate.
Physical properties of N-Carbobenzyloxy-D-serine β-Lactone: (1)ACD/LogP: 0.23; (2)ACD/LogD (pH 5.5): 0.23; (3)ACD/LogD (pH 7.4): 0.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 31.62; (7)ACD/KOC (pH 7.4): 31.58; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.568; (12)Molar Refractivity: 55.2 cm3; (13)Molar Volume: 168.5 cm3; (14)Surface Tension: 51.5 dyne/cm; (15)Density: 1.31 g/cm3; (16)Flash Point: 211.1 °C; (17)Enthalpy of Vaporization: 68.02 kJ/mol; (18)Boiling Point: 425.5 °C at 760 mmHg; (19)Vapour Pressure: 1.9E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2OCC2NC(=O)OCc1ccccc1
(2)InChI: InChI=1/C11H11NO4/c13-10-9(7-15-10)12-11(14)16-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)
(3)InChIKey: CWFZPRQDHIUBDO-UHFFFAOYAL