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59279-60-6

Basic Information
CAS No.: 59279-60-6
Name: L-Glutamic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 1,5-dimethyl ester
Article Data: 1
Cas Database
Molecular Structure:
Molecular Structure of 59279-60-6 (L-Glutamic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 1,5-dimethyl ester)
Formula: C12H21NO6
Molecular Weight: 275.302
Synonyms: L-Glutamicacid, N-[(1,1-dimethylethoxy)carbonyl]-, dimethyl ester (9CI);Boc-Glu(OMe)-OMe;Dimethyl (2S)-2-(tert-butoxycarbonylamino)pentanedioate;DimethylN-tert-butoxycarbonyl-L-glutamate;Methyl(2S)-2-((tert-butoxycarbonyl)amino)-5-methoxy-5-oxopentanoate;N-tert-Butoxycarbonyl-L-glutamic acid dimethyl ester;
EINECS: N/A
Density: 1.117g/cm3
Melting Point: 43.0 to 47.0 °C
Boiling Point: 370.9 °C at 760 mmHg
Flash Point: 178.1 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 90.93000
LogP: 1.39680
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  • (R)-N-Boc-glutamic acid-1,5-dimethyl ester

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    (R)-N-Boc-glutamic acid-1,5-dimethyl ester

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  • (R)-N-Boc-glutamic acid-1,5-dimethyl ester

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    (R)-N-Boc-glutamic acid-1,5-dimethyl ester

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  • (R)-N-Boc-glutamic acid-1,5-dimethyl ester

  • Casno:

    59279-60-6

    (R)-N-Boc-glutamic acid-1,5-dimethyl ester

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  • (R)-N-Boc-glutamic acid-1,5-dimethyl ester

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    59279-60-6

    (R)-N-Boc-glutamic acid-1,5-dimethyl ester

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  • (R)-N-Boc-glutamic acid-1,5-dimethyl ester

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    59279-60-6

    (R)-N-Boc-glutamic acid-1,5-dimethyl ester

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Specification

The (R)-N-Boc-glutamic acid-1,5-dimethyl ester with cas registry number of 59279-60-6, has the systematic name of dimethyl N-(tert-butoxycarbonyl)-L-glutamate. Its IUPAC name is dimethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate. And it is also named Boc-l-glutamic acid dimethyl ester.

Physical properties about this chemical are: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 2.01; (5)ACD/BCF (pH 5.5): 19.74; (6)ACD/BCF (pH 7.4): 19.73; (7)ACD/KOC (pH 5.5): 294.32; (8)ACD/KOC (pH 7.4): 294.22; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 82.14 Å2; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 66.48 cm3; (15)Molar Volume: 246.3 cm3; (16)Polarizability: 26.35×10-24cm3; (17)Surface Tension: 36.2 dyne/cm; (18)Enthalpy of Vaporization: 61.79 kJ/mol; (19)Vapour Pressure: 1.07E-05 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)OC)CCC(=O)OC;
(2)InChI: InChI=1/C12H21NO6/c1-12(2,3)19-11(16)13-8(10(15)18-5)6-7-9(14)17-4/h8H,6-7H2,1-5H3,(H,13,16)/t8-/m0/s1;
(3)InChIKey: QNSPKWUAZQIIGZ-QMMMGPOBBG;
(4)Std. InChI: InChI=1S/C12H21NO6/c1-12(2,3)19-11(16)13-8(10(15)18-5)6-7-9(14)17-4/h8H,6-7H2,1-5H3,(H,13,16)/t8-/m0/s1; (5)Std. InChIKey: QNSPKWUAZQIIGZ-QMMMGPOBSA-N