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Name |
N-Cbz-D-glutamic acid alpha-benzyl ester |
EINECS | 2017-001-1 |
CAS No. | 65706-99-2 | Density | 1.268 g/cm3 |
PSA | 101.93000 | LogP | 3.28050 |
Solubility | N/A | Melting Point |
594.3 °C at 760 mmHg |
Formula | C20H21NO6 | Boiling Point | 313.2 °C |
Molecular Weight | 371.39 | Flash Point | 313.2oC |
Transport Information | N/A | Appearance | white powder |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
a-BenzylN-(benzyloxycarbonyl)-D-glutamate; |
Article Data | 1 |
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..