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Boc-L-Glutamic acid 1-benzyl ester

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Name

Boc-L-Glutamic acid 1-benzyl ester

EINECS
CAS No. 30924-93-7 Density 1.198 g/cm3
Solubility Melting Point
Formula C17H23NO6 Boiling Point 522.6 °C at 760 mmHg
Molecular Weight 337.37 Flash Point 269.859 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 30924-93-7 (L-Glutamicacid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-(phenylmethyl) ester) Hazard Symbols
Synonyms

N-tert-Butoxycarbonyl-L-glutamic acid α-benzyl ester;N-tert-Butoxycarbonyl-L-glutamic acid benzyl ester;Boc-Glu-Obzl;(S)-5-(benzyloxy)-4-(tert-butoxycarbonylamino)-5-oxopentanoic acid;

 

Boc-L-Glutamic acid 1-benzyl ester Specification

The Boc-L-Glutamic acid 1-benzyl ester, with the CAS registry number 30924-93-7, is also known as N-tert-Butoxycarbonyl-L-glutamic acid benzyl ester. It belongs to the product categories of Amino Acid Derivatives; Amino Acids; Glutamic acid [Glu, E]; Boc-Amino Acids and Derivative; Amino Acids (N-Protected); Biochemistry; Boc-Amino Acids; Peptide. This chemical's molecular formula is C17H23NO6 and molecular weight is 337.37. What's more, its systematic name is (4S)-5-(Benzyloxy)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoic acid. This chemical should be sealed and stored at the temperature of -60 °C. It is used as organic intermediate.

Physical properties of Boc-L-Glutamic acid 1-benzyl ester are: (1)ACD/LogP: 2.383; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): -0.53; (5)ACD/BCF (pH 5.5): 2.95; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 36.51; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 101.93 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 86.131 cm3; (15)Molar Volume: 281.642 cm3; (16)Polarizability: 34.145×10-24cm3; (17)Surface Tension: 46.04 dyne/cm; (18)Density: 1.198 g/cm3; (19)Flash Point: 269.859 °C; (20)Enthalpy of Vaporization: 83.805 kJ/mol; (21)Boiling Point: 522.6 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)OCc1ccccc1)CCC(=O)O
(2)Std. InChI: InChI=1S/C17H23NO6/c1-17(2,3)24-16(22)18-13(9-10-14(19)20)15(21)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20)/t13-/m0/s1
(3)Std. InChIKey: CVZUKWBYQQYBTF-ZDUSSCGKSA-N 

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