Boc-L-glutamic acid 5-methyl ester supplier

Name
BOC-GLU(OME)-OH
EINECS
CAS No. 45214-91-3
Article Data33
CAS DataBase
Density 1.183 g/cm³
Solubility
Melting Point 119-123 °C
Formula C₁₁H₁₉NO₆
Boiling Point 428.35 °C at 760 mmHg
Molecular Weight 261.275
Flash Point 212.859 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-[(1,1-Dimethylethoxy)carbonyl]-L-glutamicacid 5-methyl ester;N-tert-Butoxycarbonylglutamic acid g-methyl ester;
PSA 101.93000
LogP 1.30840

Boc-L-glutamic acid 5-methyl ester Specification

The Boc-L-glutamic acid 5-methyl ester, with the CAS registry number 45214-91-3, is also known as N-[(1,1-Dimethylethoxy)carbonyl]-L-glutamicacid 5-methyl ester. This chemical's molecular formula is C₁₁H₁₉NO₆and molecular weight is 261.27. What's more, its systematic name is (2S)-5-Methoxy-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoic acid.

Physical properties of Boc-L-glutamic acid 5-methyl ester are: (1)ACD/LogP: 1.587; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.54; (4)ACD/LogD (pH 7.4): -1.98; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.29; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 101.93 Å²; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 61.644 cm³; (15)Molar Volume: 220.941 cm³; (16)Polarizability: 24.438×10^-24cm³; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.183 g/cm³; (19)Flash Point: 212.859 °C; (20)Enthalpy of Vaporization: 74.955 kJ/mol; (21)Boiling Point: 428.35 °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)O)CCC(=O)OC
(2)Std. InChI: InChI=1S/C11H19NO6/c1-11(2,3)18-10(16)12-7(9(14)15)5-6-8(13)17-4/h7H,5-6H2,1-4H3,(H,12,16)(H,14,15)/t7-/m0/s1
(3)Std. InChIKey: OHYMUFVCRVPMEY-ZETCQYMHSA-N

Product Name

BOC-GLU(OME)-OH

Boc-L-glutamic acid 5-methyl ester Specification

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