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Boc-L-glutamic acid 1-tert-butyl ester

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Name

Boc-L-glutamic acid 1-tert-butyl ester

EINECS N/A
CAS No. 24277-39-2 Density 1.121 g/cm3
PSA 101.93000 LogP 2.47710
Solubility N/A Melting Point 111.0 to 115.0 °C
Formula C14H25NO6 Boiling Point 449.8 °C at 760 mmHg
Molecular Weight 303.356 Flash Point 225.8 °C
Transport Information N/A Appearance white powder
Safety 4-7-28-35-44 Risk Codes 22/22-36/37/38
Molecular Structure Molecular Structure of 24277-39-2 (Boc-L-glutamic acid 1-tert-butyl ester) Hazard Symbols N/A
Synonyms

Glutamicacid, N-carboxy-, N,1-di-tert-butyl ester, L- (8CI);(4S)-5-tert-Butoxy-4-[(tert-butoxycarbonyl)amino]-5-oxopentanoicacid;BOC-L-glutamic acidtert-butyl ester;N-a-tert-Butoxycarbonyl-L-glutamic acid a-tert butyl ester;

Article Data 19

Boc-L-glutamic acid 1-tert-butyl ester Specification

The IUPAC name of Boc-Glu-OtBu is 5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid. With the CAS registry number 24277-39-2, it is also named as (4S)-5-tert-Butoxy-4-[(tert-butoxycarbonyl)amino]-5-oxopentanoic acid (non-preferred name); L-glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-(1,1-dimethylethyl) ester; Boc-L-glutamic acid 1-tert-butyl ester. 

The product categories are amino acids, glutamic acid [Glu, E] and Boc-amino acids and derivative. It is white powder which can be used as pharmaceutical intermediates in Peptide synthesis. This chemical must be stored normal temperature and avoid direct sunshine.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/BCF (pH 5.5): 6.35; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 63.3; (7)ACD/KOC (pH 7.4): 1.01; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 9; (11)Index of Refraction: 1.47; (12)Molar Refractivity: 75.5 cm3; (13)Molar Volume: 270.5 cm3; (14)Polarizability: 29.93×10-24 cm3; (15)Surface Tension: 38.9 dyne/cm; (16)Enthalpy of Vaporization: 77.66 kJ/mol; (17)Vapour Pressure: 2.42E-09 mmHg at 25°C; (18)Rotatable Bond Count: 9; (19)Tautomer Count: 2; (20)Exact Mass: 303.168188; (21)MonoIsotopic Mass: 303.168188; (22)Topological Polar Surface Area: 102; (23)Heavy Atom Count: 21; (24)Complexity: 391.

People can use the following data to convert to the molecule structure. SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)OC(C)(C)C)CCC(=O)O; InChI: InChI=1/C14H25NO6/c1-13(2,3)20-11(18)9(7-8-10(16)17)15-12(19)21-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,19)(H,16,17)/t9-/m0/s1. Boc-Glu-OtBu has many suppliers, such as GL Biochem (Shanghai) Ltd., Chengdu Chempep New Technology Co., Ltd. and Shanghai Biochemical Co., Ltd.. The price of this product changes with the market.

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