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CAS No.: | 5241-64-5 |
---|---|
Name: | N-[(tert-Butoxy)carbonyl]-D-tryptophan |
Article Data: | 34 |
Molecular Structure: | |
Formula: | C16H20N2O4 |
Molecular Weight: | 304.346 |
Synonyms: | Tryptophan, N-carboxy-, N-tert-butyl ester, D- (8CI);(R)-2-(((tert-Butoxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoic acid;(R)-2-[(tert-Butoxycarbonyl)amino]-3-(1H-indol-3-yl)propionic acid;tert-Butoxycarbonyl-D-tryptophan;N-tert-Butyloxycarbonyl-D-tryptophan;N-BOC-D-tryptophan;Boc-D-Tryptophan; |
EINECS: | 226-042-1 |
Density: | 1.262 g/cm3 |
Melting Point: | 131-136 °C |
Boiling Point: | 535.683 °C at 760 mmHg |
Flash Point: | 277.771 °C |
Appearance: | White to cream powder |
Safety: | 24/25 |
PSA: | 91.42000 |
LogP: | 3.07920 |
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The N-[(tert-Butoxy)carbonyl]-D-tryptophan, with the CAS registry number 5241-64-5, is also known as Boc-D-Tryptophan. It belongs to the product categories of Amino Acids; Tryptophan [Trp, W]; Boc-Amino Acids and Derivative; Amino Acids (N-Protected); Biochemistry; Boc-Amino Acids; Indoles; Tryptophans; Boc-Amino acid series. Its EINECS number is 226-042-1. This chemical's molecular formula is C16H20N2O4 and molecular weight is 304.34. What's more, its systematic name is N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-tryptophan. When using it, you must avoid contact with skin and eyes. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light.
Physical properties of N-[(tert-Butoxy)carbonyl]-D-tryptophan are: (1)ACD/LogP: 1.964; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.01; (4)ACD/LogD (pH 7.4): -1.54; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.95; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 91.42 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 82.734 cm3; (15)Molar Volume: 241.078 cm3; (16)Polarizability: 32.798×10-24cm3; (17)Surface Tension: 53.8 dyne/cm; (18)Density: 1.262 g/cm3; (19)Flash Point: 277.771 °C; (20)Enthalpy of Vaporization: 85.486 kJ/mol; (21)Boiling Point: 535.683 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@@H](C(=O)O)Cc2c1ccccc1nc2
(2)Std. InChI: InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)18-13(14(19)20)8-10-9-17-12-7-5-4-6-11(10)12/h4-7,9,13,17H,8H2,1-3H3,(H,18,21)(H,19,20)/t13-/m1/s1
(3)Std. InChIKey: NFVNYBJCJGKVQK-CYBMUJFWSA-N