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D-Glutamic acid,N-[(phenylmethoxy)carbonyl]-, 1-(phenylmethyl) ester (65706-99-2)

Identification
Name:D-Glutamic acid,N-[(phenylmethoxy)carbonyl]-, 1-(phenylmethyl) ester
Synonyms:a-BenzylN-(benzyloxycarbonyl)-D-glutamate;
CAS:65706-99-2
Molecular Formula: C20H21NO6
Molecular Weight: 371.39
InChI: InChI=1/C20H21NO6/c22-18(23)12-11-17(19(24)26-13-15-7-3-1-4-8-15)21-20(25)27-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,25)(H,22,23)/t17-/m1/s1
Molecular Structure: (C20H21NO6) a-BenzylN-(benzyloxycarbonyl)-D-glutamate;
Properties
Density:1.268 g/cm3
Refractive index:1.575
Appearance:white powder
Specification:

The IUPAC name of N-Cbz-D-glutamic acid alpha-benzyl ester is 5-oxo-5-phenylmethoxy-4-phenylmethoxycarbonylamino)pentanoic acid . With the CAS registry number 65706-99-2, it is also named as (2R)-5-(Benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-5-oxopentanoic acid (non-preferred name) ; D-Glutamic acid, N-[(phenylmethoxy)carbonyl]-, 5-(phenylmethyl) ester ; Cbz-D-Glu-OBzl .

The N-Cbz-D-glutamic acid alpha-benzyl ester is white powder which should be stored at the temperature of -20°C and sealed in the container. It can be used as pharmaceutical intermediates. The product's categories are glutamic acid [Glu, E], Z-amino acids and derivatives and Z-amino acid series. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.95 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1.81 ; (4)ACD/LogD (pH 7.4): 0.38 ; (5)ACD/BCF (pH 5.5): 4.25 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 24.11 ; (8)ACD/KOC (pH 7.4): 1 ; (9)#H bond acceptors: 7 ; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 11 ; (12)Index of Refraction: 1.575 ; (13)Molar Refractivity: 96.75 cm3 ; (14)Molar Volume: 292.7 cm3 ; (15)Polarizability: 38.35×10-24 cm3 ; (16)Surface Tension: 53.3 dyne/cm ; (17)Enthalpy of Vaporization: 93.16 kJ/mol ; (18)Vapour Pressure: 5.72E-15 mmHg at 25°C ; (19)Rotatable Bond Count: 11 ; (20)Tautomer Count: 2 ; (21)Exact Mass: 371.136887 ; (22)MonoIsotopic Mass: 371.136887 ; (23)Topological Polar Surface Area: 102 ; (24)Heavy Atom Count: 27.

People can use the following data to convert to the molecule structure. SMILES: O=C(O)[C@H](NC(=O)OCc1ccccc1)CCC(=O)OCc2ccccc2; InChI: InChI=1/C20H21NO6/c22-18(26-13-15-7-3-1-4-8-15)12-11-17(19(23)24)21-20(25)27-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,25)(H,23,24)/t17-/m1/s1.

The N-Cbz-D-glutamic acid alpha-benzyl ester has many suppliers, such as  Changzhou Huaren Chemical Co., Ltd., Changzhou Sanyue Chemical Co. Ltd., GL Biochem (Shanghai) Ltd., Shanghai Science Pharmaceutical Chemical Co., Ltd., Sichuan Emei Ronggao Biochemicals Co., Ltd. and Sichuan Goldentree Bio-pharmaceutical Co., Ltd..

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