Boc-L-glutamic acid 5-tert-butyl ester supplier

Name
N-tert-Butoxycarbonyl-L-glutamic acid gamma-tert-butyl ester
EINECS
CAS No. 13726-84-6
Article Data1
CAS DataBase
Density 1.121 g/cm³
Solubility
Melting Point 102-105 °C
Formula C₁₄H₂₅NO₆
Boiling Point 449.8 °C at 760 mmHg
Molecular Weight 303.356
Flash Point 225.8 °C
Transport Information
Appearance White to off-white microcrystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Glutamicacid, N-carboxy-, N,5-di-tert-butyl ester, L- (7CI,8CI);(2S)-5-tert-Butoxy-2-[(tert-butoxycarbonyl)amino]-5-oxopentanoic acid;(S)-5-tert-Butoxy-2-(tert-butoxycarbonylamino)-5-oxopentanoic acid;N-Boc-L-glutamic acid g-(tert-butyl)ester;N-Boc-glutaminic acid d-(tert-butyl)ester;N-tert-Butoxycarbonylglutamic acid g-tert-butyl ester;NSC 164048;
PSA 101.93000
LogP 2.47710

Boc-L-glutamic acid 5-tert-butyl ester Specification

The IUPAC name of Boc-Glu(OtBu)-OH is 5-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid. With the CAS registry number 13726-84-6, it is also named as N-tert-Butoxycarbonyl-L-glutamic acid γ-tert-butyl ester. The product's categories are Amino Acid Derivatives; Amino Acids; Glutamic Acid [Glu, E]; Boc-Amino Acids and Derivative; Boc-Amino acid Series. It is white powder which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the ventilate, cool and dry place.

The other characteristics of Boc-Glu(OtBu)-OH can be summarized as: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.06; (7)ACD/KOC (pH 7.4): 1; (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)Tautomer Count: 2; (19)Exact Mass: 303.168188; (20)MonoIsotopic Mass: 303.168188; (21)Topological Polar Surface Area: 102; (22)Heavy Atom Count: 21; (23)Complexity: 391.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC(C)(C)C)N[C@H](C(=O)O)CCC(=O)OC(C)(C)C
2. InChI:InChI=1/C14H25NO6/c1-13(2,3)20-10(16)8-7-9(11(17)18)15-12(19)21-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,19)(H,17,18)/t9-/m0/s1
3. InChIKey:YGSRAYJBEREVRB-VIFPVBQEBE

Product Name

N-tert-Butoxycarbonyl-L-glutamic acid gamma-tert-butyl ester

Boc-L-glutamic acid 5-tert-butyl ester Specification

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