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CAS No.: | 2448-45-5 |
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Name: | N-Cbz-D-Phenylalanine |
Article Data: | 65 |
Molecular Structure: | |
Formula: | C17H17NO4 |
Molecular Weight: | 299.326 |
Synonyms: | Alanine,N-carboxy-3-phenyl-, N-benzyl ester, D- (8CI);(R)-N-(Benzyloxycarbonyl)phenylalanine;Benzyloxycarbonyl-D-phenylalanine;CBZ-D-Phenylalanine;Carbobenzoxy-D-phenylalanine;Carbobenzyloxy-D-phenylalanine;D-(Carbobenzoxy)phenylalanine;D-(Carbobenzyloxy)phenylalanine;N-(Benzyloxycarbonyl)-D-phenylalanine;N-Benzyloxycarbonyl-(R)-phenylalanine;N-Carbobenzoxy-D-phenylalanine;N-Carbobenzyloxy-D-phenylalanine;NSC 522449;Z-D-Phe-OH; |
EINECS: | 258-154-1 |
Density: | 1.248 g/cm3 |
Melting Point: | 85-88 °C |
Boiling Point: | 511.5 °C at 760 mmHg |
Flash Point: | 263.1 °C |
Solubility: | Soluble in methanol. Slightly soluble in water. |
Safety: | 24/25 |
PSA: | 75.63000 |
LogP: | 2.99960 |
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The D-Phenylalanine,N-[(phenylmethoxy)carbonyl]-, with CAS registry number 2448-45-5, belongs to the following product categories: (1)Amino Acid Derivatives; (2)Phenylalanine [Phe, F]; (3)Z-Amino Acids and Derivatives; (4)Amino Acids; (5)Amino Acids (N-Protected); (6)Biochemistry; (7)Cbz-Amino Acids; (8)Cbz-Amino acid series. It has the systematic name of N-[(benzyloxy)carbonyl]-L-phenylalanine. This chemical should be stored at the temperature of −20°C. When use this chemical, avoid contact with skin and eyes.
Physical properties of D-Phenylalanine,N-[(phenylmethoxy)carbonyl]-: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 0.02; (5)ACD/BCF (pH 5.5): 2.52; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.21; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 81.08 cm3; (15)Molar Volume: 239.7 cm3; (16)Polarizability: 32.14×10-24cm3; (17)Surface Tension: 53 dyne/cm; (18)Enthalpy of Vaporization: 82.38 kJ/mol; (19)Vapour Pressure: 2.76E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)OCc1ccccc1)Cc2ccccc2
(2)InChI: InChI=1/C17H17NO4/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,21)(H,19,20)/t15-/m0/s1
(3)InChIKey: RRONHWAVOYADJL-HNNXBMFYBI
(4)Std. InChI: InChI=1S/C17H17NO4/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,21)(H,19,20)/t15-/m0/s1
(5)Std. InChIKey: RRONHWAVOYADJL-HNNXBMFYSA-N