Product Name

  • Name

    Z-N-ME-GLU(OTBU)-OH

  • EINECS
  • CAS No. 42417-71-0
  • Density 1.184 g/cm3
  • Solubility
  • Melting Point
  • Formula C18H25NO6
  • Boiling Point 501 °C at 760 mmHg
  • Molecular Weight 351.39
  • Flash Point 256.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 42417-71-0 (Z-N-ME-GLU(OTBU)-OH)
  • Hazard Symbols
  • Synonyms Z-N-me-glu(otbu)-OH;N-alpha-Carbobenzoxy-N-alpha-methyl-L-glutamic acid gamma-t-butyl ester;
  • PSA 93.14000
  • LogP 2.83010

L-Glutamicacid, N-methyl-N-[(phenylmethoxy)carbonyl]-, 5-(1,1-dimethylethyl) ester Specification

The systematic name of L-Glutamicacid, N-methyl-N-[(phenylmethoxy)carbonyl]-, 5-(1,1-dimethylethyl) ester is (2S)-2-{[(benzyloxy)carbonyl](methyl)amino}-5-tert-butoxy-5-oxopentanoic acid. With the CAS registry number 42417-71-0, it is also named as N-alpha-Carbobenzoxy-N-alpha-methyl-L-glutamic acid gamma-t-butyl ester. The product should be stored at -15 °C. In addition, its molecular formula is C18H25NO6 and molecular weight is 351.39.

The other characteristics of L-Glutamicacid, N-methyl-N-[(phenylmethoxy)carbonyl]-, 5-(1,1-dimethylethyl) ester can be summarized as: (1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 0.36; (5)ACD/BCF (pH 5.5): 4.54; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.16; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 82.14 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 90.89 cm3; (15)Molar Volume: 296.5 cm3; (16)Polarizability: 36.03×10-24cm3; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.184 g/cm3; (19)Flash Point: 256.8 °C; (20)Enthalpy of Vaporization: 81.06 kJ/mol; (21)Boiling Point: 501 °C at 760 mmHg; (22)Vapour Pressure: 7.39E-11 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OC(C)(C)C)CC[C@@H](C(=O)O)N(C(=O)OCc1ccccc1)C
(2)InChI: InChI=1/C18H25NO6/c1-18(2,3)25-15(20)11-10-14(16(21)22)19(4)17(23)24-12-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,21,22)/t14-/m0/s1
(3)InChIKey: XPZXECGLTZKQDX-AWEZNQCLBE
(4)Std. InChI: InChI=1S/C18H25NO6/c1-18(2,3)25-15(20)11-10-14(16(21)22)19(4)17(23)24-12-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,21,22)/t14-/m0/s1
(5)Std. InChIKey: XPZXECGLTZKQDX-AWEZNQCLSA-N

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