CAS No.72086-72-7,BOC-GLU-OME Suppliers

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Basic Information

Molecular Structure:
CAS No.:	72086-72-7
Name:	BOC-GLU-OME
Article Data:	22

Formula:	C₁₁H₁₉NO₆
Molecular Weight:	261.275
Synonyms:	N-(tert-Butoxycarbonyl)glutamicacid a-methyl ester;(2S)-2-[(tert-butoxycarbonyl)amino]-5-methoxy-5-oxopentanoic acid (non-preferred name);L-glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 5-methyl ester;
Density:	1.182 g/cm³
Melting Point:	119-123oC
Boiling Point:	428.4 °C at 760 mmHg
Flash Point:	212.9 °C
PSA:	101.93000
LogP:	1.30840

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Specification

The Boc-L-glutamic acid α-methyl ester, with the CAS registry number 72086-72-7, has the systematic name of (2S)-2-[(tert-butoxycarbonyl)amino]-5-methoxy-5-oxopentanoic acid (non-preferred name). It should be stored at 2-8°C. And molecular formula of the chemical is C₁₁H₁₉NO₆.

The characteristics of Boc-L-glutamic acid α-methyl ester are as followings: (1)ACD/LogP: 1.59; (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; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.29; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 82.14 Å²; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 61.64 cm³; (15)Molar Volume: 220.9 cm³; (16)Polarizability: 24.43×10^-24cm³; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.182 g/cm³; (19)Flash Point: 212.9 °C; (20)Enthalpy of Vaporization: 74.96 kJ/mol; (21)Boiling Point: 428.4 °C at 760 mmHg; (22)Vapour Pressure: 1.55E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)CCC(=O)OC
(2)InChI: InChI=1/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)InChIKey: OHYMUFVCRVPMEY-ZETCQYMHBV