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CAS No.: | 55592-85-3 |
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Name: | Z-DL-LYS(Z)-OH |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C22H26N2O6 |
Molecular Weight: | 414.458 |
Synonyms: | DL-Lysine,N2,N6-bis[(phenylmethoxy)carbonyl]-;N2,N6-bis[(benzyloxy)carbonyl]lysine;Lysine, N2,N6-bis[(phenylmethoxy)carbonyl]-;N2,N6-Dibenzyloxycarbonyl-DL-lysine; |
Density: | 1.238 g/cm3 |
Melting Point: | 90-95 °C(lit.) |
Boiling Point: | 659 °C at 760 mmHg |
Flash Point: | 352.4 °C |
Safety: | 22-24/25 |
PSA: | 113.96000 |
LogP: | 4.24450 |
The Lysine,N2,N6-bis[(phenylmethoxy)carbonyl]-, with the CAS registry number 55592-85-3, has the systematic name of N2,N6-bis[(benzyloxy)carbonyl]lysine. And the molecular formula of the chemical is C22H26N2O6. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The characteristics of Lysine,N2,N6-bis[(phenylmethoxy)carbonyl]- are as followings: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 0.25; (5)ACD/BCF (pH 5.5): 4.58; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.72; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 13; (12)olar Surface Area: 85.38 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 109.61 cm3; (15)Molar Volume: 334.6 cm3; (16)Polarizability: 43.45×10-24cm3; (17)Surface Tension: 52 dyne/cm; (18)Density: 1.238 g/cm3; (19)Flash Point: 352.4 °C; (20)Enthalpy of Vaporization: 101.91 kJ/mol; (21)Boiling Point: 659 °C at 760 mmHg; (22)Vapour Pressure: 2.9E-18 mmHg at 25°C.
Uses of Lysine,N2,N6-bis[(phenylmethoxy)carbonyl]-: It can react with 5-amino-1H-[1,2,3]triazole-4-carboxylic acid amide to produce [5-benzyloxycarbonylamino-5-(5-carbamoyl-3H-[1,2,3]triazol-4-ylcarbamoyl)-pentyl]-carbamic acid benzyl ester. This reaction will need reagent N,N'-carbonyldiimidazole, and the yield is about 45%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C(NC(=O)OCc1ccccc1)CCCCNC(=O)OCc2ccccc2
(2)InChI: InChI=1/C22H26N2O6/c25-20(26)19(24-22(28)30-16-18-11-5-2-6-12-18)13-7-8-14-23-21(27)29-15-17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13-16H2,(H,23,27)(H,24,28)(H,25,26)
(3)InChIKey: BLZXFNUZFTZCFD-UHFFFAOYAP