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88815-54-7

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Basic Information
CAS No.: 88815-54-7
Name: L-Glutamic acid, N-[(phenylmethoxy)carbonyl]-, 1-1-methylethyl) ester
Molecular Structure:
Molecular Structure of 88815-54-7 (L-Glutamic acid, N-[(phenylmethoxy)carbonyl]-, 1-1-methylethyl) ester)
Formula: C16H21NO6
Molecular Weight: 323.346
Synonyms: N-benzoxycarbonyl-L-glutamic acid, iso-propyl ester
Density: 1.218 g/cm3
Boiling Point: 519.681 °C at 760 mmHg
Flash Point: 268.094 °C
PSA: 105.42000
LogP: 2.30220
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Specification

The L-Glutamic acid, N-[(phenylmethoxy)carbonyl]-, 1-1-methylethyl) ester is an organic compound with the formula C16H21NO6. The systematic name of this chemical is (4S)-4-(benzyloxycarbonylamino)-5-isopropoxy-5-oxo-pentanoic acid. With the CAS registry number 88815-54-7, it is also named as (S)-4-(benzyloxycarbonylamino)-5-isopropoxy-5-oxopentanoic acid.

Physical properties about L-Glutamic acid, N-[(phenylmethoxy)carbonyl]-, 1-1-methylethyl) ester are: (1)ACD/LogP: 2.23; (2)ACD/LogD (pH 5.5): 1.141; (3)ACD/BCF (pH 5.5): 2.374; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 31.65; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 10; (10)Polar Surface Area: 101.93 Å2; (11)Index of Refraction: 1.526; (12)Molar Refractivity: 81.491 cm3; (13)Molar Volume: 265.464 cm3; (14)Polarizability: 32.306×10-24cm3; (15)Surface Tension: 47.287 dyne/cm; (16)Density: 1.218 g/cm3; (17)Flash Point: 268.094 °C; (18)Enthalpy of Vaporization: 83.432 kJ/mol; (19)Boiling Point: 519.681 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)OC(=O)[C@H](CCC(=O)O)NC(=O)OCc1ccccc1
(2)InChI: InChI=1/C16H21NO6/c1-11(2)23-15(20)13(8-9-14(18)19)17-16(21)22-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,21)(H,18,19)/t13-/m0/s1
(3)InChIKey: NRSCPJKMEAHSJF-ZDUSSCGKBD
(4)Std. InChI: InChI=1S/C16H21NO6/c1-11(2)23-15(20)13(8-9-14(18)19)17-16(21)22-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,21)(H,18,19)/t13-/m0/s1
(5)Std. InChIKey: NRSCPJKMEAHSJF-ZDUSSCGKSA-N