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CAS No.: | 5680-86-4 |
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Name: | (S)-2-Benzyloxycarbonylamino-pentanedioic acid 5-benzyl ester |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C20H21NO6 |
Molecular Weight: | 371.39 |
Synonyms: | Glutamicacid, N-carboxy-, N,5-dibenzyl ester, L- (6CI,7CI,8CI);Carbobenzoxy-L-glutamicacid g-benzyl ester;N-(Benzyloxycarbonyl)-L-glutamic acid g-benzyl ester;N-Carbobenzoxy-L-glutamic acid 5-benzylester;N-Carbobenzoxy-L-glutamic acid g-benzyl ester;N-Carbobenzyloxy-L-glutamic acid g-benzyl ester;NSC 169178;g-Benzyl N-(benzyloxycarbonyl)-L-glutamate;Z-Glu(OBzl)-OH; |
EINECS: | 611-426-7 |
Density: | 1.268 g/cm3 |
Melting Point: | 74.0 to 78.0 °C |
Boiling Point: | 594.3 °C at 760 mmHg |
Flash Point: | 313.2 °C |
Solubility: | Soluble in ethanol. Insoluble in water. |
Appearance: | White powder |
PSA: | 101.93000 |
LogP: | 3.28050 |
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The L-Glutamic acid,N-[(phenylmethoxy)carbonyl]-, 5-(phenylmethyl) ester, with the CAS registry number 5680-86-4, is also known as N-Benzyloxycarbonyl-L-glutamic acid gamma-benzyl ester. It belongs to the product categories of Aminoacids Derivatives; Z-Amino Acids and Derivatives. This chemical's molecular formula is C20H21NO6 and molecular weight is 371.38. What's more, its IUPAC name is 5-Oxo-5-phenylmethoxy-2-(phenylmethoxycarbonylamino)pentanoic acid and systematic name is called (2S)-5-(Benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-5-oxopentanoic acid. In addition, it is white powder.
Physical properties about L-Glutamic acid,N-[(phenylmethoxy)carbonyl]-, 5-(phenylmethyl) ester are: (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) Polar Surface Area: 82.14 Å2; (13) Index of Refraction: 1.575; (14) Molar Refractivity: 96.75 cm3; (15) Molar Volume: 292.7 cm3; (16) Surface Tension: 53.3 dyne/cm; (17) Density: 1.268 g/cm3; (18) Flash Point: 313.2 °C; (19) Enthalpy of Vaporization: 93.16 kJ/mol; (20) Boiling Point: 594.3 °C at 760 mmHg; (21) Vapour Pressure: 5.72E-15 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](NC(=O)OCc1ccccc1)CCC(=O)OCc2ccccc2
(2) 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-/m0/s1
(3) InChIKey: TWIVXHQQTRSWGO-KRWDZBQOBM